4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

C15H20N2O3 — CID 104927556

IUPAC4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(18)16-12-8-6-11(7-9-12)15(20)17-13-4-2-3-5-14(13)19/h6-9,13-14,19H,2-5H2,1H3,(H,16,18)(H,17,20)/t13-,14-/m1/s1
InChIKeyZGEUVNYXBNKTBH-ZIAGYGMSSA-N
MW276.34 g/mol
LogP1.68
Rot. Bonds3

About 4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (PubChem CID 104927556) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
PubChem CID104927556
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(18)16-12-8-6-11(7-9-12)15(20)17-13-4-2-3-5-14(13)19/h6-9,13-14,19H,2-5H2,1H3,(H,16,18)(H,17,20)/t13-,14-/m1/s1
InChIKeyZGEUVNYXBNKTBH-ZIAGYGMSSA-N
XLogP1.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927853
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957212
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
CID 101152324
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24871867

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (CID 104927556) is 4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of 4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The InChIKey is ZGEUVNYXBNKTBH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(18)16-12-8-6-11(7-9-12)15(20)17-13-4-2-3-5-14(13)19/h6-9,13-14,19H,2-5H2,1H3,(H,16,18)(H,17,20)/t13-,14-/m1/s1.
What are the key properties of 4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide has a molecular weight of 276.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 104927556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).