N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide

C17H20N2O2 — CID 86768699

IUPACN-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CC3C4CCC(C4)C32)c1
InChIInChI=1S/C17H20N2O2/c1-10(20)11-3-2-4-14(8-11)18-17(21)19-9-15-12-5-6-13(7-12)16(15)19/h2-4,8,12-13,15-16H,5-7,9H2,1H3,(H,18,21)
InChIKeyQACNFHBBKNAGHE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.15
Rot. Bonds2

About N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide

N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide (PubChem CID 86768699) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
PubChem CID86768699
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CC3C4CCC(C4)C32)c1
InChIInChI=1S/C17H20N2O2/c1-10(20)11-3-2-4-14(8-11)18-17(21)19-9-15-12-5-6-13(7-12)16(15)19/h2-4,8,12-13,15-16H,5-7,9H2,1H3,(H,18,21)
InChIKeyQACNFHBBKNAGHE-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-1-[(3-acetylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843514
(2R,4R)-1-[(3-acetylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000304
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695
1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102776316
N-(3-acetylphenyl)-2,5-dimethylmorpholine-4-carboxamide
CID 61345863
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
(1R,4S,6S)-N-(3-acetylphenyl)-6-(methanesulfonamido)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71836830
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide (CID 86768699) is N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide is CC(=O)c1cccc(NC(=O)N2CC3C4CCC(C4)C32)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The InChIKey is QACNFHBBKNAGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10(20)11-3-2-4-14(8-11)18-17(21)19-9-15-12-5-6-13(7-12)16(15)19/h2-4,8,12-13,15-16H,5-7,9H2,1H3,(H,18,21).
What are the key properties of N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide is sourced from PubChem (CID 86768699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).