1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea

C18H28N2O — CID 47032242

IUPAC1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NC1CCCCC1C
InChIInChI=1S/C18H28N2O/c1-12(2)15-10-7-9-14(4)17(15)20-18(21)19-16-11-6-5-8-13(16)3/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3,(H2,19,20,21)
InChIKeyUQIIIEPLHROAST-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.82
Rot. Bonds3

About 1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea

1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea (PubChem CID 47032242) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
PubChem CID47032242
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NC1CCCCC1C
InChIInChI=1S/C18H28N2O/c1-12(2)15-10-7-9-14(4)17(15)20-18(21)19-16-11-6-5-8-13(16)3/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3,(H2,19,20,21)
InChIKeyUQIIIEPLHROAST-UHFFFAOYSA-N
XLogP4.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)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

(Z)-2-cyano-3-[(2-methylcyclohexyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 108822574
2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 5061547
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 5008117
N-(2-methylcyclohexyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500534
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
CID 62711201
N-(2-methyl-6-propan-2-ylphenyl)piperidine-2-carboxamide
CID 10730082
1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935038
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
1-(furan-2-yl)-3-(2-methylcyclohexyl)urea
CID 108868492

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea (CID 47032242) is 1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea is Cc1cccc(C(C)C)c1NC(=O)NC1CCCCC1C.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The InChIKey is UQIIIEPLHROAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12(2)15-10-7-9-14(4)17(15)20-18(21)19-16-11-6-5-8-13(16)3/h7,9-10,12-13,16H,5-6,8,11H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea has a molecular weight of 288.44 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea is sourced from PubChem (CID 47032242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).