1-cyclopentyloxy-3-(4-methoxyphenyl)urea

C13H18N2O3 — CID 112551748

IUPAC1-cyclopentyloxy-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NOC2CCCC2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-11-8-6-10(7-9-11)14-13(16)15-18-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H2,14,15,16)
InChIKeyWICZXWBASZXSLX-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.69
Rot. Bonds4

About 1-cyclopentyloxy-3-(4-methoxyphenyl)urea

1-cyclopentyloxy-3-(4-methoxyphenyl)urea (PubChem CID 112551748) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(4-methoxyphenyl)urea
PubChem CID112551748
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-cyclopentyloxy-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NOC2CCCC2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-11-8-6-10(7-9-11)14-13(16)15-18-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H2,14,15,16)
InChIKeyWICZXWBASZXSLX-UHFFFAOYSA-N
XLogP2.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclopentyloxy-3-(4-methoxyphenyl)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-bis(4-methoxyphenyl)urea
CID 139045428
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
CID 108912023
N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide
CID 83201947
1-(4-methoxyphenyl)-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxyurea
CID 87275451
1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea
CID 47139552
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812
N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924408
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-cyclopentyloxy-3-(4-methoxyphenyl)urea (CID 112551748) is 1-cyclopentyloxy-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-cyclopentyloxy-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-cyclopentyloxy-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NOC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyloxy-3-(4-methoxyphenyl)urea?
The InChIKey is WICZXWBASZXSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-11-8-6-10(7-9-11)14-13(16)15-18-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyloxy-3-(4-methoxyphenyl)urea?
1-cyclopentyloxy-3-(4-methoxyphenyl)urea has a molecular weight of 250.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 112551748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).