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

C15H29NO — CID 143046395

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

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

N-heptan-4-yl-4-methylcyclohexane-1-carboxamide (PubChem CID 143046395) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-heptan-4-yl-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-heptan-4-yl-4-methylcyclohexane-1-carboxamide
PubChem CID143046395
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-heptan-4-yl-4-methylcyclohexane-1-carboxamide
SMILESCCCC(CCC)NC(=O)C1CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-4-6-14(7-5-2)16-15(17)13-10-8-12(3)9-11-13/h12-14H,4-11H2,1-3H3,(H,16,17)
InChIKeySQXDZJDYODLWOU-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

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Related Compounds

N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
N-[(3S)-hexan-3-yl]oxane-4-carboxamide
CID 170970278
3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide
CID 106028328
N-(1-oxopentan-2-yl)cyclopropanecarboxamide
CID 175249523
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
CID 106357091
N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide
CID 107860044
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 82786795
2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide
CID 65455479

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-heptan-4-yl-4-methylcyclohexane-1-carboxamide (CID 143046395) is N-heptan-4-yl-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-heptan-4-yl-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-heptan-4-yl-4-methylcyclohexane-1-carboxamide is CCCC(CCC)NC(=O)C1CCC(C)CC1.
What is the InChIKey of N-heptan-4-yl-4-methylcyclohexane-1-carboxamide?
The InChIKey is SQXDZJDYODLWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-6-14(7-5-2)16-15(17)13-10-8-12(3)9-11-13/h12-14H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-heptan-4-yl-4-methylcyclohexane-1-carboxamide?
N-heptan-4-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-4-yl-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 143046395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).