N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide

C20H28N2O3 — CID 108966674

IUPACN-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)C(C)(C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C20H28N2O3/c1-5-17-11-6-7-12-22(17)19(25)20(3,4)18(24)21-16-10-8-9-15(13-16)14(2)23/h8-10,13,17H,5-7,11-12H2,1-4H3,(H,21,24)
InChIKeyRRWWQZIBAMAYNB-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.64
Rot. Bonds5

About N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide

N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide (PubChem CID 108966674) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide
PubChem CID108966674
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)C(C)(C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C20H28N2O3/c1-5-17-11-6-7-12-22(17)19(25)20(3,4)18(24)21-16-10-8-9-15(13-16)14(2)23/h8-10,13,17H,5-7,11-12H2,1-4H3,(H,21,24)
InChIKeyRRWWQZIBAMAYNB-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide
CID 108966622
N-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958859
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 7842559
3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide
CID 108966667
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-(3-acetylphenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960966
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109240561

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide (CID 108966674) is N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide is CCC1CCCCN1C(=O)C(C)(C)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The InChIKey is RRWWQZIBAMAYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-17-11-6-7-12-22(17)19(25)20(3,4)18(24)21-16-10-8-9-15(13-16)14(2)23/h8-10,13,17H,5-7,11-12H2,1-4H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide?
N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide has a molecular weight of 344.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide is sourced from PubChem (CID 108966674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).