3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea

C13H24N2O2 — CID 110752124

IUPAC3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)NC1CCCC1
InChIInChI=1S/C13H24N2O2/c1-15(10-11-6-8-17-9-7-11)13(16)14-12-4-2-3-5-12/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyHFERZCNNEVYASB-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.00
Rot. Bonds3

About 3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea

3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea (PubChem CID 110752124) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea
PubChem CID110752124
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)NC1CCCC1
InChIInChI=1S/C13H24N2O2/c1-15(10-11-6-8-17-9-7-11)13(16)14-12-4-2-3-5-12/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyHFERZCNNEVYASB-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)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 3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea (CID 110752124) is 3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea is CN(CC1CCOCC1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea?
The InChIKey is HFERZCNNEVYASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15(10-11-6-8-17-9-7-11)13(16)14-12-4-2-3-5-12/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of 3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea?
3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea has a molecular weight of 240.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 110752124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).