2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide

C16H31NO — CID 166924939

IUPAC2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide
SMILESCCCCC(C)NC(=O)C1CC(C)CCC1CC
InChIInChI=1S/C16H31NO/c1-5-7-8-13(4)17-16(18)15-11-12(3)9-10-14(15)6-2/h12-15H,5-11H2,1-4H3,(H,17,18)
InChIKeyGKIDZANWTZWHRT-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.14
Rot. Bonds6

About 2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide

2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide (PubChem CID 166924939) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide
PubChem CID166924939
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide
SMILESCCCCC(C)NC(=O)C1CC(C)CCC1CC
InChIInChI=1S/C16H31NO/c1-5-7-8-13(4)17-16(18)15-11-12(3)9-10-14(15)6-2/h12-15H,5-11H2,1-4H3,(H,17,18)
InChIKeyGKIDZANWTZWHRT-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347
2-(heptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791589
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
(1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 143334985
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
3-(octan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784683
5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide
CID 102706657
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
2-amino-5-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 65455850
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
1-N,3-N,5-N-tri(octan-2-yl)cyclohexane-1,3,5-tricarboxamide
CID 102292990
2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 65453766

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide (CID 166924939) is 2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide is CCCCC(C)NC(=O)C1CC(C)CCC1CC.
What is the InChIKey of 2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide?
The InChIKey is GKIDZANWTZWHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-7-8-13(4)17-16(18)15-11-12(3)9-10-14(15)6-2/h12-15H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide?
2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide has a molecular weight of 253.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 166924939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).