N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C23H27N3O3 — CID 110306227

IUPACN-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C23H27N3O3/c1-3-25(4-2)23(29)21(17-10-6-5-7-11-17)24-22(28)18-12-8-13-19(16-18)26-15-9-14-20(26)27/h5-8,10-13,16,21H,3-4,9,14-15H2,1-2H3,(H,24,28)/t21-/m0/s1
InChIKeyJCVVOFQHELMTNZ-NRFANRHFSA-N
MW393.49 g/mol
LogP3.15
Rot. Bonds7

About N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 110306227) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID110306227
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C23H27N3O3/c1-3-25(4-2)23(29)21(17-10-6-5-7-11-17)24-22(28)18-12-8-13-19(16-18)26-15-9-14-20(26)27/h5-8,10-13,16,21H,3-4,9,14-15H2,1-2H3,(H,24,28)/t21-/m0/s1
InChIKeyJCVVOFQHELMTNZ-NRFANRHFSA-N
XLogP3.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
CID 51521923
dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium
CID 8938357
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9470704
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 133199704
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 100639599
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 34956402
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51577737
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
(E)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]hex-4-enoic acid
CID 120692659

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 110306227) is N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CCN(CC)C(=O)[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is JCVVOFQHELMTNZ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-25(4-2)23(29)21(17-10-6-5-7-11-17)24-22(28)18-12-8-13-19(16-18)26-15-9-14-20(26)27/h5-8,10-13,16,21H,3-4,9,14-15H2,1-2H3,(H,24,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 110306227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).