1-[(4-methylphenyl)methyl]-3-pentylurea

C14H22N2O — CID 3834489

IUPAC1-[(4-methylphenyl)methyl]-3-pentylurea
SMILESCCCCCNC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-3-4-5-10-15-14(17)16-11-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H2,15,16,17)
InChIKeyUDXGLGWXDHRLMP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.98
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-3-pentylurea

1-[(4-methylphenyl)methyl]-3-pentylurea (PubChem CID 3834489) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-pentylurea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-pentylurea
PubChem CID3834489
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(4-methylphenyl)methyl]-3-pentylurea
SMILESCCCCCNC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-3-4-5-10-15-14(17)16-11-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H2,15,16,17)
InChIKeyUDXGLGWXDHRLMP-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(4-methylphenyl)methyl]-3-pentylurea 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-hentriacontyl-3-[(4-hydroxyphenyl)methyl]urea
CID 139845203
1-[(4-hydroxyphenyl)methyl]-3-pentadecylurea
CID 19597068
1-[(4-hydroxyphenyl)methyl]-3-tetratriacontylurea
CID 139845221
1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
CID 109019959
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
1-dodecyl-3-[(4-methylphenyl)methyl]thiourea
CID 19651407
1-butyl-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38948989
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-pentylurea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-pentylurea (CID 3834489) is 1-[(4-methylphenyl)methyl]-3-pentylurea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-pentylurea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-pentylurea is CCCCCNC(=O)NCc1ccc(C)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-pentylurea?
The InChIKey is UDXGLGWXDHRLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-5-10-15-14(17)16-11-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-pentylurea?
1-[(4-methylphenyl)methyl]-3-pentylurea has a molecular weight of 234.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-pentylurea is sourced from PubChem (CID 3834489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).