N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide

C22H33NO — CID 59811280

IUPACN-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
SMILESC/C(=C\C(C)(C)C)c1ccc(C(=O)NC2CCCC(C)C2C)cc1
InChIInChI=1S/C22H33NO/c1-15-8-7-9-20(17(15)3)23-21(24)19-12-10-18(11-13-19)16(2)14-22(4,5)6/h10-15,17,20H,7-9H2,1-6H3,(H,23,24)/b16-14+
InChIKeyQKWKDAHOBAQZRL-JQIJEIRASA-N
MW327.51 g/mol
LogP5.69
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide

N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide (PubChem CID 59811280) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
PubChem CID59811280
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
SMILESC/C(=C\C(C)(C)C)c1ccc(C(=O)NC2CCCC(C)C2C)cc1
InChIInChI=1S/C22H33NO/c1-15-8-7-9-20(17(15)3)23-21(24)19-12-10-18(11-13-19)16(2)14-22(4,5)6/h10-15,17,20H,7-9H2,1-6H3,(H,23,24)/b16-14+
InChIKeyQKWKDAHOBAQZRL-JQIJEIRASA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
CID 26797148
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide
CID 66463063
N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55349610

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide (CID 59811280) is N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide is C/C(=C\C(C)(C)C)c1ccc(C(=O)NC2CCCC(C)C2C)cc1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
The InChIKey is QKWKDAHOBAQZRL-JQIJEIRASA-N. The full InChI is InChI=1S/C22H33NO/c1-15-8-7-9-20(17(15)3)23-21(24)19-12-10-18(11-13-19)16(2)14-22(4,5)6/h10-15,17,20H,7-9H2,1-6H3,(H,23,24)/b16-14+.
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide?
N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide has a molecular weight of 327.51 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide is sourced from PubChem (CID 59811280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).