1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea

C16H24N2O2 — CID 79872586

IUPAC1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1ccc(NC(=O)NC2CCCC2(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-11(19)12-6-8-13(9-7-12)17-15(20)18-14-5-4-10-16(14,2)3/h6-9,11,14,19H,4-5,10H2,1-3H3,(H2,17,18,20)
InChIKeyGREKAQXNSCJBRT-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.44
Rot. Bonds3

About 1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea

1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea (PubChem CID 79872586) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea
PubChem CID79872586
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1ccc(NC(=O)NC2CCCC2(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-11(19)12-6-8-13(9-7-12)17-15(20)18-14-5-4-10-16(14,2)3/h6-9,11,14,19H,4-5,10H2,1-3H3,(H2,17,18,20)
InChIKeyGREKAQXNSCJBRT-UHFFFAOYSA-N
XLogP3.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]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-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263
1-[(1S)-2,2-dimethylcyclopentyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]urea
CID 97158602
2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340758
1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea
CID 114539712
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
CID 79860812
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 63999209
1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
CID 111841130
1-(3-bromo-4-pyridinyl)-3-(2,2-dimethylcyclopentyl)urea
CID 136521847
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
2-[(2,2-dimethylcyclohexyl)carbamoylamino]benzoic acid
CID 79870220

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea (CID 79872586) is 1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea is CC(O)c1ccc(NC(=O)NC2CCCC2(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The InChIKey is GREKAQXNSCJBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(19)12-6-8-13(9-7-12)17-15(20)18-14-5-4-10-16(14,2)3/h6-9,11,14,19H,4-5,10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea has a molecular weight of 276.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 79872586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).