1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea

C16H24N2O2 — CID 110676480

IUPAC1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
SMILESCOCCCNC(=O)NC1(c2ccccc2)CCCC1
InChIInChI=1S/C16H24N2O2/c1-20-13-7-12-17-15(19)18-16(10-5-6-11-16)14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3,(H2,17,18,19)
InChIKeyQHPSRPNWTGQPIY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds6

About 1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea

1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea (PubChem CID 110676480) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
PubChem CID110676480
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
SMILESCOCCCNC(=O)NC1(c2ccccc2)CCCC1
InChIInChI=1S/C16H24N2O2/c1-20-13-7-12-17-15(19)18-16(10-5-6-11-16)14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3,(H2,17,18,19)
InChIKeyQHPSRPNWTGQPIY-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea?
The IUPAC name of 1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea (CID 110676480) is 1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea is COCCCNC(=O)NC1(c2ccccc2)CCCC1.
What is the InChIKey of 1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea?
The InChIKey is QHPSRPNWTGQPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-13-7-12-17-15(19)18-16(10-5-6-11-16)14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea?
1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea is sourced from PubChem (CID 110676480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).