1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea

C15H22N2O2 — CID 54999134

IUPAC1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N(CCO)C2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12-5-4-6-13(11-12)16-15(19)17(9-10-18)14-7-2-3-8-14/h4-6,11,14,18H,2-3,7-10H2,1H3,(H,16,19)
InChIKeyWBICYMYLOHDJPT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.76
Rot. Bonds4

About 1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea

1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea (PubChem CID 54999134) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
PubChem CID54999134
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N(CCO)C2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12-5-4-6-13(11-12)16-15(19)17(9-10-18)14-7-2-3-8-14/h4-6,11,14,18H,2-3,7-10H2,1H3,(H,16,19)
InChIKeyWBICYMYLOHDJPT-UHFFFAOYSA-N
XLogP2.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
1-(2-cyanoethyl)-1-cyclopropyl-3-(3-methylphenyl)urea
CID 54949101
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111435009
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
3-[3-(1-aminoethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
CID 102869480
N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide
CID 4271273
1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
CID 110891304
5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 102865413
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea (CID 54999134) is 1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)N(CCO)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea?
The InChIKey is WBICYMYLOHDJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-5-4-6-13(11-12)16-15(19)17(9-10-18)14-7-2-3-8-14/h4-6,11,14,18H,2-3,7-10H2,1H3,(H,16,19).
What are the key properties of 1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea?
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea has a molecular weight of 262.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 54999134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).