3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide

C17H24N2O2 — CID 11920330

IUPAC3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1
InChIInChI=1S/C17H24N2O2/c1-11-6-4-9-16(12(11)2)19-17(21)14-7-5-8-15(10-14)18-13(3)20/h5,7-8,10-12,16H,4,6,9H2,1-3H3,(H,18,20)(H,19,21)/t11-,12-,16-/m1/s1
InChIKeyIPQNIZANYSVYOO-XHBSWPGZSA-N
MW288.39 g/mol
LogP3.20
Rot. Bonds3

About 3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide

3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide (PubChem CID 11920330) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
PubChem CID11920330
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1
InChIInChI=1S/C17H24N2O2/c1-11-6-4-9-16(12(11)2)19-17(21)14-7-5-8-15(10-14)18-13(3)20/h5,7-8,10-12,16H,4,6,9H2,1-3H3,(H,18,20)(H,19,21)/t11-,12-,16-/m1/s1
InChIKeyIPQNIZANYSVYOO-XHBSWPGZSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide
CID 6598954
3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920013
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
3-acetamido-N-[(5S,6S)-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 99784164
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
CID 4064098
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
N-[4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]phenyl]acetamide
CID 6599147
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
3-[[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide
CID 124772361
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide?
The IUPAC name of 3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide (CID 11920330) is 3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide?
The canonical SMILES for 3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide is CC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1.
What is the InChIKey of 3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide?
The InChIKey is IPQNIZANYSVYOO-XHBSWPGZSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-6-4-9-16(12(11)2)19-17(21)14-7-5-8-15(10-14)18-13(3)20/h5,7-8,10-12,16H,4,6,9H2,1-3H3,(H,18,20)(H,19,21)/t11-,12-,16-/m1/s1.
What are the key properties of 3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide?
3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide has a molecular weight of 288.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide is sourced from PubChem (CID 11920330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).