N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide

C13H23NO2 — CID 103862352

IUPACN-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide
SMILESCC(CO)CCCNC(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-11(10-15)6-5-9-14-13(16)12-7-3-2-4-8-12/h2-3,11-12,15H,4-10H2,1H3,(H,14,16)
InChIKeyIKLPGKSROKIBPC-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.87
Rot. Bonds6

About N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide

N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide (PubChem CID 103862352) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide
PubChem CID103862352
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide
SMILESCC(CO)CCCNC(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-11(10-15)6-5-9-14-13(16)12-7-3-2-4-8-12/h2-3,11-12,15H,4-10H2,1H3,(H,14,16)
InChIKeyIKLPGKSROKIBPC-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
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 N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide 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

alpha-Methyl anandamide
CID 5283455
2-Isopropylarachidonoyl-(2'-hydroxyethyl)amide
CID 5283458
N-(5-hydroxy-pentyl)arachidonoylamide
CID 5283405
N-(2-hydroxyethyl)-2-methylicosa-5,8,11,14-tetraenamide
CID 49823675
R-alpha-isopropyl anandamide
CID 129866076
N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide
CID 49824027
N-((1-(hydroxymethyl)cyclopropyl)methyl)cyclohex-3-enecarboxamide
CID 71796850
N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-enecarboxamide
CID 71796915
N-[4-(hydroxymethyl)cyclohexyl]cyclopent-3-ene-1-carboxamide
CID 75502844
(R,Z)-2-ethyl-N-((4R,5R,E)-4-ethyl-5-hydroxy-8-methyldec-8-en-1-yl)hept-5-enamide
CID 163319736
N-ethyl-2-[(1r,4s,5s)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 171365711
N-ethyl-2-[(1s,2s,5s)-2-(hydroxymethyl)-5-(trimethylsilyl)cyclopent-3-en-1-yl]acetamide
CID 171365750

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide (CID 103862352) is N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide is CC(CO)CCCNC(=O)C1CC=CCC1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is IKLPGKSROKIBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(10-15)6-5-9-14-13(16)12-7-3-2-4-8-12/h2-3,11-12,15H,4-10H2,1H3,(H,14,16).
What are the key properties of N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide?
N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 103862352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).