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

C17H24N2O — CID 108912386

IUPAC1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NC=C1CCCCC1
InChIInChI=1S/C17H24N2O/c1-13(2)15-10-6-7-11-16(15)19-17(20)18-12-14-8-4-3-5-9-14/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyAHHGJJOGTLZVRS-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.78
Rot. Bonds3

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

1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea (PubChem CID 108912386) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea
PubChem CID108912386
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NC=C1CCCCC1
InChIInChI=1S/C17H24N2O/c1-13(2)15-10-6-7-11-16(15)19-17(20)18-12-14-8-4-3-5-9-14/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyAHHGJJOGTLZVRS-UHFFFAOYSA-N
XLogP4.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea
CID 108914569
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(2R)-2-piperidin-1-ium-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 9249558
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide
CID 43328847
1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913071
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
N-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7958260

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea (CID 108912386) is 1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)NC=C1CCCCC1.
What is the InChIKey of 1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea?
The InChIKey is AHHGJJOGTLZVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)15-10-6-7-11-16(15)19-17(20)18-12-14-8-4-3-5-9-14/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea?
1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea has a molecular weight of 272.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 108912386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).