1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea

C18H29N3O — CID 86924684

IUPAC1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea
SMILESCN(CCCNC(=O)NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29N3O/c1-21(17-11-6-3-7-12-17)14-8-13-19-18(22)20-15-16-9-4-2-5-10-16/h2,4-5,9-10,17H,3,6-8,11-15H2,1H3,(H2,19,20,22)
InChIKeyWKJMJAMGPKEIAB-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.14
Rot. Bonds7

About 1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea

1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea (PubChem CID 86924684) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea
PubChem CID86924684
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea
SMILESCN(CCCNC(=O)NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29N3O/c1-21(17-11-6-3-7-12-17)14-8-13-19-18(22)20-15-16-9-4-2-5-10-16/h2,4-5,9-10,17H,3,6-8,11-15H2,1H3,(H2,19,20,22)
InChIKeyWKJMJAMGPKEIAB-UHFFFAOYSA-N
XLogP3.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
4-[[[N-[3-[cyclohexyl(methyl)amino]propyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874688
1-benzyl-3-(5-hydroxypentyl)urea
CID 108871315
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
CID 114328325
5-(benzylcarbamoylamino)pentanamide
CID 106235188
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
3-[acetyl(cyclopentyl)amino]-N-benzylpropanamide
CID 113116330

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea?
The IUPAC name of 1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea (CID 86924684) is 1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea.
What is the SMILES notation for 1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea?
The canonical SMILES for 1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea is CN(CCCNC(=O)NCc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea?
The InChIKey is WKJMJAMGPKEIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-21(17-11-6-3-7-12-17)14-8-13-19-18(22)20-15-16-9-4-2-5-10-16/h2,4-5,9-10,17H,3,6-8,11-15H2,1H3,(H2,19,20,22).
What are the key properties of 1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea?
1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea has a molecular weight of 303.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea is sourced from PubChem (CID 86924684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).