1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

C13H24N2O2 — CID 111630279

IUPAC1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESCCCCCCNC(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C13H24N2O2/c1-2-3-4-5-8-14-13(17)15-12-7-6-11(9-12)10-16/h6-7,11-12,16H,2-5,8-10H2,1H3,(H2,14,15,17)/t11-,12+/m0/s1
InChIKeyNARXBHYXGLMITH-NWDGAFQWSA-N
MW240.35 g/mol
LogP1.80
Rot. Bonds7

About 1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (PubChem CID 111630279) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.

Molecular Properties

Compound Name1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
PubChem CID111630279
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESCCCCCCNC(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C13H24N2O2/c1-2-3-4-5-8-14-13(17)15-12-7-6-11(9-12)10-16/h6-7,11-12,16H,2-5,8-10H2,1H3,(H2,14,15,17)/t11-,12+/m0/s1
InChIKeyNARXBHYXGLMITH-NWDGAFQWSA-N
XLogP1.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea 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

1-[2-[butyl(methyl)amino]ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631017
1-(5-hydroxy-4,4-dimethylpentyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631321
4-(pentylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216817
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 111631081
4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216867
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-pentyl-1,3,4-thiadiazol-2-yl)urea
CID 111631424
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 97319331
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630761
1-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
1-butyl-3-octylurea
CID 17269600

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The IUPAC name of 1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (CID 111630279) is 1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.
What is the SMILES notation for 1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The canonical SMILES for 1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is CCCCCCNC(=O)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of 1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The InChIKey is NARXBHYXGLMITH-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-3-4-5-8-14-13(17)15-12-7-6-11(9-12)10-16/h6-7,11-12,16H,2-5,8-10H2,1H3,(H2,14,15,17)/t11-,12+/m0/s1.
What are the key properties of 1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea has a molecular weight of 240.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is sourced from PubChem (CID 111630279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).