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

C17H26N2O — CID 47032083

IUPAC1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea
SMILESCC1CCCC(NC(=O)Nc2ccccc2C(C)C)C1
InChIInChI=1S/C17H26N2O/c1-12(2)15-9-4-5-10-16(15)19-17(20)18-14-8-6-7-13(3)11-14/h4-5,9-10,12-14H,6-8,11H2,1-3H3,(H2,18,19,20)
InChIKeyQBVDYNKTYHGPHW-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.51
Rot. Bonds3

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

1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea (PubChem CID 47032083) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea
PubChem CID47032083
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea
SMILESCC1CCCC(NC(=O)Nc2ccccc2C(C)C)C1
InChIInChI=1S/C17H26N2O/c1-12(2)15-9-4-5-10-16(15)19-17(20)18-14-8-6-7-13(3)11-14/h4-5,9-10,12-14H,6-8,11H2,1-3H3,(H2,18,19,20)
InChIKeyQBVDYNKTYHGPHW-UHFFFAOYSA-N
XLogP4.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea
CID 47031785
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
CID 94060517
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 94081538
1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
CID 116658189
1-(oxolan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 110706700
1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea
CID 19935050
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204
4-methyl-3-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61198764

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea (CID 47032083) is 1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea is CC1CCCC(NC(=O)Nc2ccccc2C(C)C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea?
The InChIKey is QBVDYNKTYHGPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)15-9-4-5-10-16(15)19-17(20)18-14-8-6-7-13(3)11-14/h4-5,9-10,12-14H,6-8,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea?
1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea has a molecular weight of 274.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 47032083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).