1-[4-(2-azanylethyl)phenyl]-3-methyl-urea; 1-methyl-3-(3-pentylphenyl)urea

Systemtic Name: 1-[4-(2-azanylethyl)phenyl]-3-methyl-urea; 1-methyl-3-(3-pentylphenyl)urea Openeye Name: 1-[4-(2-aminoethyl)phenyl]-3-methyl-urea; 1-methyl-3-(3-pentylphenyl)urea CAS Name: 1-[4-(2-aminoethyl)phenyl]-3-methylurea; 1-methyl-3-(3-pentylphenyl)urea IUPAC Name: 1-[4-(2-aminoethyl)phenyl]-3-methylurea; 1-methyl-3-(3-pentylphenyl)urea Traditional Name: 1-[4-(2-aminoethyl)phenyl]-3-methyl-urea; 1-(3-amylphenyl)-3-methyl-urea Formula: C23H35N5O2 MolecularWeight: 413.5563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)NC(=O)NC.CNC(=O)NC1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCCC1=CC(=CC=C1)NC(=O)NC.CNC(=O)NC1=CC=C(C=C1)CCN

InChI

InChI=1S/C13H20N2O.C10H15N3O/c1-3-4-5-7-11-8-6-9-12(10-11)15-13(16)14-2;1-12-10(14)13-9-4-2-8(3-5-9)6-7-11/h6,8-10H,3-5,7H2,1-2H3,(H2,14,15,16);2-5H,6-7,11H2,1H3,(H2,12,13,14)