1-benzyl-3-[3-(N-methylanilino)propyl]urea

C18H23N3O — CID 3497237

IUPAC1-benzyl-3-[3-(N-methylanilino)propyl]urea
SMILESCN(CCCNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-21(17-11-6-3-7-12-17)14-8-13-19-18(22)20-15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3,(H2,19,20,22)
InChIKeyAIBGEOSURNSMDP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.01
Rot. Bonds7

About 1-benzyl-3-[3-(N-methylanilino)propyl]urea

1-benzyl-3-[3-(N-methylanilino)propyl]urea (PubChem CID 3497237) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-benzyl-3-[3-(N-methylanilino)propyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-(N-methylanilino)propyl]urea
PubChem CID3497237
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-benzyl-3-[3-(N-methylanilino)propyl]urea
SMILESCN(CCCNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-21(17-11-6-3-7-12-17)14-8-13-19-18(22)20-15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3,(H2,19,20,22)
InChIKeyAIBGEOSURNSMDP-UHFFFAOYSA-N
XLogP3.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.01
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-(N-methylanilino)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-[3-(N-methylanilino)propyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55769843
1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[3-(N-methylanilino)propyl]urea
CID 86952276
1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(N-methylanilino)propyl]urea
CID 55575061
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea
CID 86924684
1-benzyl-3-(5-hydroxypentyl)urea
CID 108871315
N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
CID 27746775
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 3822405

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(N-methylanilino)propyl]urea?
The IUPAC name of 1-benzyl-3-[3-(N-methylanilino)propyl]urea (CID 3497237) is 1-benzyl-3-[3-(N-methylanilino)propyl]urea.
What is the SMILES notation for 1-benzyl-3-[3-(N-methylanilino)propyl]urea?
The canonical SMILES for 1-benzyl-3-[3-(N-methylanilino)propyl]urea is CN(CCCNC(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[3-(N-methylanilino)propyl]urea?
The InChIKey is AIBGEOSURNSMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(17-11-6-3-7-12-17)14-8-13-19-18(22)20-15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3,(H2,19,20,22).
What are the key properties of 1-benzyl-3-[3-(N-methylanilino)propyl]urea?
1-benzyl-3-[3-(N-methylanilino)propyl]urea has a molecular weight of 297.40 g/mol, XLogP of 3.01, 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-(N-methylanilino)propyl]urea is sourced from PubChem (CID 3497237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).