1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea

C13H20N2O — CID 47159778

IUPAC1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
SMILESCc1cccc(CNC(=O)NCC(C)C)c1
InChIInChI=1S/C13H20N2O/c1-10(2)8-14-13(16)15-9-12-6-4-5-11(3)7-12/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16)
InChIKeyLBMNCDFYBZUHBS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.45
Rot. Bonds4

About 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea

1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea (PubChem CID 47159778) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
PubChem CID47159778
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
SMILESCc1cccc(CNC(=O)NCC(C)C)c1
InChIInChI=1S/C13H20N2O/c1-10(2)8-14-13(16)15-9-12-6-4-5-11(3)7-12/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16)
InChIKeyLBMNCDFYBZUHBS-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)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-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 110910094
2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 60734142
N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide
CID 23826181
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111120935
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411
1-[(3-methylphenyl)methyl]-3-(3-oxobutyl)urea
CID 108895266
2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 46045368
1-(4-hydroxy-2,2-dimethylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 111479334

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea (CID 47159778) is 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea is Cc1cccc(CNC(=O)NCC(C)C)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea?
The InChIKey is LBMNCDFYBZUHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)8-14-13(16)15-9-12-6-4-5-11(3)7-12/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea?
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea has a molecular weight of 220.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 47159778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).