N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide

C15H29NO — CID 166944629

IUPACN-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCCCNC(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H29NO/c1-4-5-6-11-16-15(17)14-9-7-13(8-10-14)12(2)3/h12-14H,4-11H2,1-3H3,(H,16,17)
InChIKeyVSHRZPJVPIDIQY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.76
Rot. Bonds6

About N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide

N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 166944629) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID166944629
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCCCNC(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H29NO/c1-4-5-6-11-16-15(17)14-9-7-13(8-10-14)12(2)3/h12-14H,4-11H2,1-3H3,(H,16,17)
InChIKeyVSHRZPJVPIDIQY-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-pentyl-4-propan-2-ylcyclohexane-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

4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149814
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
[2-acetyloxy-4-(pentylcarbamoyl)cyclohexyl] acetate
CID 174290653
4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
CID 109147401
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
2-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]ethylsulfanyl]acetic acid
CID 120526444
4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149705

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide (CID 166944629) is N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide is CCCCCNC(=O)C1CCC(C(C)C)CC1.
What is the InChIKey of N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is VSHRZPJVPIDIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-5-6-11-16-15(17)14-9-7-13(8-10-14)12(2)3/h12-14H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide?
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 239.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 166944629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).