1-cyclopentyl-3-(3-methoxyphenyl)urea

C13H18N2O2 — CID 6470680

IUPAC1-cyclopentyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2CCCC2)c1
InChIInChI=1S/C13H18N2O2/c1-17-12-8-4-7-11(9-12)15-13(16)14-10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H2,14,15,16)
InChIKeyTZGMIKPKIBTIEU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.76
Rot. Bonds3

About 1-cyclopentyl-3-(3-methoxyphenyl)urea

1-cyclopentyl-3-(3-methoxyphenyl)urea (PubChem CID 6470680) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-methoxyphenyl)urea
PubChem CID6470680
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-cyclopentyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2CCCC2)c1
InChIInChI=1S/C13H18N2O2/c1-17-12-8-4-7-11(9-12)15-13(16)14-10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H2,14,15,16)
InChIKeyTZGMIKPKIBTIEU-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-cyclopentyl-3-(3-methoxyphenyl)urea (CID 6470680) is 1-cyclopentyl-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-(3-methoxyphenyl)urea?
The InChIKey is TZGMIKPKIBTIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-8-4-7-11(9-12)15-13(16)14-10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-(3-methoxyphenyl)urea?
1-cyclopentyl-3-(3-methoxyphenyl)urea has a molecular weight of 234.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 6470680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).