N-heptan-2-yl-4-methylcyclohexane-1-carboxamide

C15H29NO — CID 143290950

IUPACN-heptan-2-yl-4-methylcyclohexane-1-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-4-5-6-7-13(3)16-15(17)14-10-8-12(2)9-11-14/h12-14H,4-11H2,1-3H3,(H,16,17)
InChIKeyKYKOHXDCKJARRO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.90
Rot. Bonds6

About N-heptan-2-yl-4-methylcyclohexane-1-carboxamide

N-heptan-2-yl-4-methylcyclohexane-1-carboxamide (PubChem CID 143290950) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-heptan-2-yl-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-4-methylcyclohexane-1-carboxamide
PubChem CID143290950
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-heptan-2-yl-4-methylcyclohexane-1-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-4-5-6-7-13(3)16-15(17)14-10-8-12(2)9-11-14/h12-14H,4-11H2,1-3H3,(H,16,17)
InChIKeyKYKOHXDCKJARRO-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
3-(octan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784683
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
N-heptan-4-yl-4-methylcyclohexane-1-carboxamide
CID 143046395
N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 113276065
N-heptan-2-ylcyclohex-3-ene-1-carboxamide
CID 134055913
cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide
CID 27243583

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-heptan-2-yl-4-methylcyclohexane-1-carboxamide (CID 143290950) is N-heptan-2-yl-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-heptan-2-yl-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-heptan-2-yl-4-methylcyclohexane-1-carboxamide is CCCCCC(C)NC(=O)C1CCC(C)CC1.
What is the InChIKey of N-heptan-2-yl-4-methylcyclohexane-1-carboxamide?
The InChIKey is KYKOHXDCKJARRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-5-6-7-13(3)16-15(17)14-10-8-12(2)9-11-14/h12-14H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-heptan-2-yl-4-methylcyclohexane-1-carboxamide?
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide has a molecular weight of 239.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 143290950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).