N-pentan-2-ylcyclohexanecarboxamide

C12H23NO — CID 19916603

IUPACN-pentan-2-ylcyclohexanecarboxamide
SMILESCCCC(C)NC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-3-7-10(2)13-12(14)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyXPXXUSPMTWSTHK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.87
Rot. Bonds4

About N-pentan-2-ylcyclohexanecarboxamide

N-pentan-2-ylcyclohexanecarboxamide (PubChem CID 19916603) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-pentan-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-pentan-2-ylcyclohexanecarboxamide
PubChem CID19916603
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-pentan-2-ylcyclohexanecarboxamide
SMILESCCCC(C)NC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-3-7-10(2)13-12(14)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyXPXXUSPMTWSTHK-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
N-(5-aminohexan-2-yl)cyclohexanecarboxamide
CID 134308456
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
N-pent-4-yn-2-ylcyclopentanecarboxamide
CID 115661776
6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
CID 65286195
N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide
CID 97351327
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylcyclohexanecarboxamide?
The IUPAC name of N-pentan-2-ylcyclohexanecarboxamide (CID 19916603) is N-pentan-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-pentan-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-pentan-2-ylcyclohexanecarboxamide is CCCC(C)NC(=O)C1CCCCC1.
What is the InChIKey of N-pentan-2-ylcyclohexanecarboxamide?
The InChIKey is XPXXUSPMTWSTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-7-10(2)13-12(14)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-pentan-2-ylcyclohexanecarboxamide?
N-pentan-2-ylcyclohexanecarboxamide has a molecular weight of 197.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 19916603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).