1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea

C14H20N2O3 — CID 103709893

IUPAC1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2CCCC2CO)c1
InChIInChI=1S/C14H20N2O3/c1-19-12-6-3-5-11(8-12)15-14(18)16-13-7-2-4-10(13)9-17/h3,5-6,8,10,13,17H,2,4,7,9H2,1H3,(H2,15,16,18)
InChIKeyUQXRUVOVVWKJOR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.98
Rot. Bonds4

About 1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea

1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea (PubChem CID 103709893) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
PubChem CID103709893
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2CCCC2CO)c1
InChIInChI=1S/C14H20N2O3/c1-19-12-6-3-5-11(8-12)15-14(18)16-13-7-2-4-10(13)9-17/h3,5-6,8,10,13,17H,2,4,7,9H2,1H3,(H2,15,16,18)
InChIKeyUQXRUVOVVWKJOR-UHFFFAOYSA-N
XLogP1.98
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[(1R,2R)-2-(sulfanylmethoxymethyl)cyclohexyl]urea
CID 59041101
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(3-methoxyphenyl)acetamide
CID 104696228
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
1-[3-[ethyl(methyl)amino]phenyl]-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 129378352
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
1-[2-[(2-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
CID 22351216
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
CID 64928641
cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate
CID 96536759
1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27017960
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)carbamoylamino]oxan-2-yl]-N-phenylacetamide
CID 54645010
1-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)urea
CID 1460691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea (CID 103709893) is 1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NC2CCCC2CO)c1.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea?
The InChIKey is UQXRUVOVVWKJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-12-6-3-5-11(8-12)15-14(18)16-13-7-2-4-10(13)9-17/h3,5-6,8,10,13,17H,2,4,7,9H2,1H3,(H2,15,16,18).
What are the key properties of 1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea?
1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea has a molecular weight of 264.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 103709893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).