(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide

C25H27N3O3 — CID 7297791

IUPAC(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O
InChIInChI=1S/C25H27N3O3/c1-26(2)17-18-27(19-20-11-5-3-6-12-20)25(31)23(28-16-10-9-15-22(28)29)24(30)21-13-7-4-8-14-21/h3-16,23H,17-19H2,1-2H3/t23-/m1/s1
InChIKeyAJJCPSVITDXDTC-HSZRJFAPSA-N
MW417.51 g/mol
LogP2.86
Rot. Bonds9

About (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide

(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide (PubChem CID 7297791) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
PubChem CID7297791
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O
InChIInChI=1S/C25H27N3O3/c1-26(2)17-18-27(19-20-11-5-3-6-12-20)25(31)23(28-16-10-9-15-22(28)29)24(30)21-13-7-4-8-14-21/h3-16,23H,17-19H2,1-2H3/t23-/m1/s1
InChIKeyAJJCPSVITDXDTC-HSZRJFAPSA-N
XLogP2.86
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 42502735
N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 51362607
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-3-(4-bromophenyl)-N-butyl-3-oxopropanamide
CID 3616676
N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 3963036
1-(2-oxo-1,2-diphenylethyl)pyridin-2-one
CID 3828854
2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide
CID 116676204
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
N-benzyl-1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-ethylpiperidine-4-carboxamide
CID 3906182
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide
CID 7317030
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The IUPAC name of (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide (CID 7297791) is (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide is CN(C)CCN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O.
What is the InChIKey of (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The InChIKey is AJJCPSVITDXDTC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-26(2)17-18-27(19-20-11-5-3-6-12-20)25(31)23(28-16-10-9-15-22(28)29)24(30)21-13-7-4-8-14-21/h3-16,23H,17-19H2,1-2H3/t23-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide has a molecular weight of 417.51 g/mol, XLogP of 2.86, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 7297791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).