N-heptan-2-ylcyclohex-3-ene-1-carboxamide

C14H25NO — CID 134055913

IUPACN-heptan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCCCCCC(C)NC(=O)C1CC=CCC1
InChIInChI=1S/C14H25NO/c1-3-4-6-9-12(2)15-14(16)13-10-7-5-8-11-13/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H,15,16)
InChIKeyJSVKTXAJKBYVNZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.43
Rot. Bonds6

About N-heptan-2-ylcyclohex-3-ene-1-carboxamide

N-heptan-2-ylcyclohex-3-ene-1-carboxamide (PubChem CID 134055913) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-heptan-2-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-heptan-2-ylcyclohex-3-ene-1-carboxamide
PubChem CID134055913
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-heptan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCCCCCC(C)NC(=O)C1CC=CCC1
InChIInChI=1S/C14H25NO/c1-3-4-6-9-12(2)15-14(16)13-10-7-5-8-11-13/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H,15,16)
InChIKeyJSVKTXAJKBYVNZ-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
1-N,3-N,5-N-tri(octan-2-yl)cyclohexane-1,3,5-tricarboxamide
CID 102292990
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24705199
3-(octan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784683
(1R)-N-[(2S)-2-methylpentyl]sulfonylcyclohex-3-ene-1-carboxamide
CID 96531042
N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide
CID 114389785
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
(1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 99625988
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839
cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-heptan-2-ylcyclohex-3-ene-1-carboxamide (CID 134055913) is N-heptan-2-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-heptan-2-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-heptan-2-ylcyclohex-3-ene-1-carboxamide is CCCCCC(C)NC(=O)C1CC=CCC1.
What is the InChIKey of N-heptan-2-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is JSVKTXAJKBYVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-6-9-12(2)15-14(16)13-10-7-5-8-11-13/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H,15,16).
What are the key properties of N-heptan-2-ylcyclohex-3-ene-1-carboxamide?
N-heptan-2-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 223.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 134055913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).