N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide

C20H25N3O3 — CID 648008

IUPACN-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
SMILESCCN(CC)CCNC(=O)C(C(=O)c1ccccc1)n1ccccc1=O
InChIInChI=1S/C20H25N3O3/c1-3-22(4-2)15-13-21-20(26)18(23-14-9-8-12-17(23)24)19(25)16-10-6-5-7-11-16/h5-12,14,18H,3-4,13,15H2,1-2H3,(H,21,26)
InChIKeyUWYMSOBUXIGZFI-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.73
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide

N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide (PubChem CID 648008) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
PubChem CID648008
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
SMILESCCN(CC)CCNC(=O)C(C(=O)c1ccccc1)n1ccccc1=O
InChIInChI=1S/C20H25N3O3/c1-3-22(4-2)15-13-21-20(26)18(23-14-9-8-12-17(23)24)19(25)16-10-6-5-7-11-16/h5-12,14,18H,3-4,13,15H2,1-2H3,(H,21,26)
InChIKeyUWYMSOBUXIGZFI-UHFFFAOYSA-N
XLogP1.73
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tentoxin
CID 5281143
4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
(2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformamido)propanamide
CID 9948720
N-benzoyl-phenylalanyl-glycine-nitrile
CID 11702265
N-isopropyl-N-[3-(methylamino)-1,4-dioxo-1,4-dihydro-2-naphthalenyl]propanamide
CID 5165162
4-[(3R)-3-[(2-oxo-2-phenylethyl)amino]butyl]benzamide
CID 23647079
(2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)pentanamide
CID 23648448
N-[(2S)-1-[[(3E,5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]decanamide
CID 86302666
3,5-difluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155512199
2,6-difluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155515575
3-fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155522753

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide (CID 648008) is N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide is CCN(CC)CCNC(=O)C(C(=O)c1ccccc1)n1ccccc1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The InChIKey is UWYMSOBUXIGZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-22(4-2)15-13-21-20(26)18(23-14-9-8-12-17(23)24)19(25)16-10-6-5-7-11-16/h5-12,14,18H,3-4,13,15H2,1-2H3,(H,21,26).
What are the key properties of N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 648008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).