3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea

C13H18N2O2 — CID 107734155

IUPAC3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
SMILESCN(C(=O)NC1CCCC1)c1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c1-15(11-7-4-8-12(16)9-11)13(17)14-10-5-2-3-6-10/h4,7-10,16H,2-3,5-6H2,1H3,(H,14,17)
InChIKeyGOZJGCRUOPSYFE-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.48
Rot. Bonds2

About 3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea

3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea (PubChem CID 107734155) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
PubChem CID107734155
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
SMILESCN(C(=O)NC1CCCC1)c1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c1-15(11-7-4-8-12(16)9-11)13(17)14-10-5-2-3-6-10/h4,7-10,16H,2-3,5-6H2,1H3,(H,14,17)
InChIKeyGOZJGCRUOPSYFE-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734715
1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 107737300
1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea
CID 116658108
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
1-(3-hydroxyphenyl)-1-methyl-3-propylurea
CID 107734166
N-(cyclopentylcarbamoyl)-N-(3-methylphenyl)acetamide
CID 86239895
1-(4-cyanophenyl)-3-cyclohexyl-1-methylurea
CID 62981204
4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 107737206
(1S,6R)-6-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107734001
N-cyclopentyl-N'-(3-hydroxyphenyl)oxamide
CID 44995644

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea?
The IUPAC name of 3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea (CID 107734155) is 3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea.
What is the SMILES notation for 3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea?
The canonical SMILES for 3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea is CN(C(=O)NC1CCCC1)c1cccc(O)c1.
What is the InChIKey of 3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea?
The InChIKey is GOZJGCRUOPSYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(11-7-4-8-12(16)9-11)13(17)14-10-5-2-3-6-10/h4,7-10,16H,2-3,5-6H2,1H3,(H,14,17).
What are the key properties of 3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea?
3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea has a molecular weight of 234.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea is sourced from PubChem (CID 107734155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).