(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide

C21H23N3O3 — CID 51725831

IUPAC(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCC[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C21H23N3O3/c1-15(25)17-10-5-6-11-18(17)23-20(26)14-24-13-7-12-19(24)21(27)22-16-8-3-2-4-9-16/h2-6,8-11,19H,7,12-14H2,1H3,(H,22,27)(H,23,26)/t19-/m0/s1
InChIKeySDBHHLLIBDQMJB-IBGZPJMESA-N
MW365.43 g/mol
LogP2.93
Rot. Bonds6

About (2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide

(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 51725831) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID51725831
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCC[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C21H23N3O3/c1-15(25)17-10-5-6-11-18(17)23-20(26)14-24-13-7-12-19(24)21(27)22-16-8-3-2-4-9-16/h2-6,8-11,19H,7,12-14H2,1H3,(H,22,27)(H,23,26)/t19-/m0/s1
InChIKeySDBHHLLIBDQMJB-IBGZPJMESA-N
XLogP2.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108
N-(2-acetylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 63297555
1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 42948760
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118634244
1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031856
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406317
N-(4-fluorophenyl)-2-[[2-[2-(N'-hydroxycarbamimidoyl)piperidin-1-yl]acetyl]amino]benzamide
CID 126808335

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide (CID 51725831) is (2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide is CC(=O)c1ccccc1NC(=O)CN1CCC[C@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is SDBHHLLIBDQMJB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(25)17-10-5-6-11-18(17)23-20(26)14-24-13-7-12-19(24)21(27)22-16-8-3-2-4-9-16/h2-6,8-11,19H,7,12-14H2,1H3,(H,22,27)(H,23,26)/t19-/m0/s1.
What are the key properties of (2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide?
(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51725831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).