3-(2-butylcyclopentyl)-1-ethyl-1-methylurea

C13H26N2O — CID 56801089

IUPAC3-(2-butylcyclopentyl)-1-ethyl-1-methylurea
SMILESCCCCC1CCCC1NC(=O)N(C)CC
InChIInChI=1S/C13H26N2O/c1-4-6-8-11-9-7-10-12(11)14-13(16)15(3)5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyYAPWWENOOQGYQV-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.01
Rot. Bonds5

About 3-(2-butylcyclopentyl)-1-ethyl-1-methylurea

3-(2-butylcyclopentyl)-1-ethyl-1-methylurea (PubChem CID 56801089) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(2-butylcyclopentyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2-butylcyclopentyl)-1-ethyl-1-methylurea
PubChem CID56801089
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(2-butylcyclopentyl)-1-ethyl-1-methylurea
SMILESCCCCC1CCCC1NC(=O)N(C)CC
InChIInChI=1S/C13H26N2O/c1-4-6-8-11-9-7-10-12(11)14-13(16)15(3)5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyYAPWWENOOQGYQV-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-butylcyclopentyl)-1-ethyl-1-methylurea 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-(2-butylcyclopentyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2-butylcyclopentyl)-1-ethyl-1-methylurea (CID 56801089) is 3-(2-butylcyclopentyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2-butylcyclopentyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2-butylcyclopentyl)-1-ethyl-1-methylurea is CCCCC1CCCC1NC(=O)N(C)CC.
What is the InChIKey of 3-(2-butylcyclopentyl)-1-ethyl-1-methylurea?
The InChIKey is YAPWWENOOQGYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-8-11-9-7-10-12(11)14-13(16)15(3)5-2/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 3-(2-butylcyclopentyl)-1-ethyl-1-methylurea?
3-(2-butylcyclopentyl)-1-ethyl-1-methylurea has a molecular weight of 226.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butylcyclopentyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 56801089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).