N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide

C13H25NO2 — CID 107300527

IUPACN-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
SMILESCC(O)CCCNC(=O)C1CCC(C)CC1
InChIInChI=1S/C13H25NO2/c1-10-5-7-12(8-6-10)13(16)14-9-3-4-11(2)15/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyVWEIMWUGJUOHBF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds5

About N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide

N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 107300527) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
PubChem CID107300527
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
SMILESCC(O)CCCNC(=O)C1CCC(C)CC1
InChIInChI=1S/C13H25NO2/c1-10-5-7-12(8-6-10)13(16)14-9-3-4-11(2)15/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyVWEIMWUGJUOHBF-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776
hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium
CID 153224944
2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106120324
N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927132
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide
CID 106307018
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate
CID 144908622

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide (CID 107300527) is N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide is CC(O)CCCNC(=O)C1CCC(C)CC1.
What is the InChIKey of N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is VWEIMWUGJUOHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-5-7-12(8-6-10)13(16)14-9-3-4-11(2)15/h10-12,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide?
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 107300527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).