2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

C16H22N2O3 — CID 104927739

IUPAC2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESCC(=O)N(C)c1ccccc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C16H22N2O3/c1-11(19)18(2)14-9-5-3-7-12(14)16(21)17-13-8-4-6-10-15(13)20/h3,5,7,9,13,15,20H,4,6,8,10H2,1-2H3,(H,17,21)/t13-,15-/m1/s1
InChIKeyGVPRLBRNHZTJOX-UKRRQHHQSA-N
MW290.36 g/mol
LogP1.70
Rot. Bonds3

About 2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (PubChem CID 104927739) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
PubChem CID104927739
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESCC(=O)N(C)c1ccccc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C16H22N2O3/c1-11(19)18(2)14-9-5-3-7-12(14)16(21)17-13-8-4-6-10-15(13)20/h3,5,7,9,13,15,20H,4,6,8,10H2,1-2H3,(H,17,21)/t13-,15-/m1/s1
InChIKeyGVPRLBRNHZTJOX-UKRRQHHQSA-N
XLogP1.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide
CID 107223849
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide
CID 107211262
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330
N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62361158
N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide
CID 171674975
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 45086848
N-(2-hydroxycyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
CID 62365088

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (CID 104927739) is 2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is CC(=O)N(C)c1ccccc1C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The InChIKey is GVPRLBRNHZTJOX-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(19)18(2)14-9-5-3-7-12(14)16(21)17-13-8-4-6-10-15(13)20/h3,5,7,9,13,15,20H,4,6,8,10H2,1-2H3,(H,17,21)/t13-,15-/m1/s1.
What are the key properties of 2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 104927739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).