1-cyclopentyl-3-octan-4-ylurea

C14H28N2O — CID 103729065

IUPAC1-cyclopentyl-3-octan-4-ylurea
SMILESCCCCC(CCC)NC(=O)NC1CCCC1
InChIInChI=1S/C14H28N2O/c1-3-5-9-12(8-4-2)15-14(17)16-13-10-6-7-11-13/h12-13H,3-11H2,1-2H3,(H2,15,16,17)
InChIKeyOYHJEYMIHUHHKL-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.59
Rot. Bonds7

About 1-cyclopentyl-3-octan-4-ylurea

1-cyclopentyl-3-octan-4-ylurea (PubChem CID 103729065) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-octan-4-ylurea.

Molecular Properties

Compound Name1-cyclopentyl-3-octan-4-ylurea
PubChem CID103729065
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-cyclopentyl-3-octan-4-ylurea
SMILESCCCCC(CCC)NC(=O)NC1CCCC1
InChIInChI=1S/C14H28N2O/c1-3-5-9-12(8-4-2)15-14(17)16-13-10-6-7-11-13/h12-13H,3-11H2,1-2H3,(H2,15,16,17)
InChIKeyOYHJEYMIHUHHKL-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-cyclopentyl-3-octan-4-ylurea 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

(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
2-(cyclohexylcarbamoylamino)undecanamide
CID 69488334
N-cyclopentyl-2-ethylhexanamide
CID 4146053
N-cyclopropyl-2-(octan-4-ylamino)propanamide
CID 103728152
3-cyclopropyl-3-(octan-4-ylcarbamoylamino)propanoic acid
CID 106020595
N-cyclooctyl-2-ethylhexanamide
CID 3989939
(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
2-(cyclohexylcarbamoyl)hexane-1-diazonium
CID 174456340
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
4-chloro-N-octan-4-ylbutanamide
CID 106019308
3-(octan-4-ylcarbamoylamino)pentanoic acid
CID 106020637

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-octan-4-ylurea?
The IUPAC name of 1-cyclopentyl-3-octan-4-ylurea (CID 103729065) is 1-cyclopentyl-3-octan-4-ylurea.
What is the SMILES notation for 1-cyclopentyl-3-octan-4-ylurea?
The canonical SMILES for 1-cyclopentyl-3-octan-4-ylurea is CCCCC(CCC)NC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-octan-4-ylurea?
The InChIKey is OYHJEYMIHUHHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-5-9-12(8-4-2)15-14(17)16-13-10-6-7-11-13/h12-13H,3-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-cyclopentyl-3-octan-4-ylurea?
1-cyclopentyl-3-octan-4-ylurea has a molecular weight of 240.39 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-octan-4-ylurea is sourced from PubChem (CID 103729065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).