4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide

C20H31NO — CID 19206885

IUPAC4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2c(C)cccc2CC)CC1
InChIInChI=1S/C20H31NO/c1-4-6-9-16-11-13-18(14-12-16)20(22)21-19-15(3)8-7-10-17(19)5-2/h7-8,10,16,18H,4-6,9,11-14H2,1-3H3,(H,21,22)
InChIKeyMJKKBWGKKOBKAS-UHFFFAOYSA-N
MW301.47 g/mol
LogP5.49
Rot. Bonds6

About 4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide

4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 19206885) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide
PubChem CID19206885
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2c(C)cccc2CC)CC1
InChIInChI=1S/C20H31NO/c1-4-6-9-16-11-13-18(14-12-16)20(22)21-19-15(3)8-7-10-17(19)5-2/h7-8,10,16,18H,4-6,9,11-14H2,1-3H3,(H,21,22)
InChIKeyMJKKBWGKKOBKAS-UHFFFAOYSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-(2-ethyl-6-methylphenyl)cyclopentane-1-carboxamide
CID 66032656
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149430
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145846
(3S)-1-butyl-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9398612
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
N-(6-bromo-2-pyridinyl)-4-butylcyclohexane-1-carboxamide
CID 43520432
N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384738
N-(2-ethyl-6-methylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147639
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide (CID 19206885) is 4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2c(C)cccc2CC)CC1.
What is the InChIKey of 4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is MJKKBWGKKOBKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-4-6-9-16-11-13-18(14-12-16)20(22)21-19-15(3)8-7-10-17(19)5-2/h7-8,10,16,18H,4-6,9,11-14H2,1-3H3,(H,21,22).
What are the key properties of 4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide?
4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 301.47 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 19206885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).