4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide

C17H24N2O2 — CID 23349769

IUPAC4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NC2CCCCC2N(C)C)cc1
InChIInChI=1S/C17H24N2O2/c1-12(20)13-8-10-14(11-9-13)17(21)18-15-6-4-5-7-16(15)19(2)3/h8-11,15-16H,4-7H2,1-3H3,(H,18,21)
InChIKeyOKAVWMSQULJXPO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.49
Rot. Bonds4

About 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide

4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide (PubChem CID 23349769) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide
PubChem CID23349769
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NC2CCCCC2N(C)C)cc1
InChIInChI=1S/C17H24N2O2/c1-12(20)13-8-10-14(11-9-13)17(21)18-15-6-4-5-7-16(15)19(2)3/h8-11,15-16H,4-7H2,1-3H3,(H,18,21)
InChIKeyOKAVWMSQULJXPO-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide
CID 6328449
4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride
CID 165362467
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
CID 54037439
N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide
CID 70592375
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide
CID 114124428
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
CID 101152324
4-bromo-N-[(7S,8S)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide
CID 54188117

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide?
The IUPAC name of 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide (CID 23349769) is 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide?
The canonical SMILES for 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide is CC(=O)c1ccc(C(=O)NC2CCCCC2N(C)C)cc1.
What is the InChIKey of 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide?
The InChIKey is OKAVWMSQULJXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(20)13-8-10-14(11-9-13)17(21)18-15-6-4-5-7-16(15)19(2)3/h8-11,15-16H,4-7H2,1-3H3,(H,18,21).
What are the key properties of 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide?
4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide has a molecular weight of 288.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide is sourced from PubChem (CID 23349769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).