N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide

C25H27N3O3 — CID 86979589

IUPACN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CCn2ccccc2=O)c1
InChIInChI=1S/C25H27N3O3/c1-19(22-11-8-12-23(17-22)26-20(2)29)28(18-21-9-4-3-5-10-21)25(31)14-16-27-15-7-6-13-24(27)30/h3-13,15,17,19H,14,16,18H2,1-2H3,(H,26,29)
InChIKeyZRIXDCMYSLKTJF-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.99
Rot. Bonds8

About N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide

N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 86979589) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID86979589
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CCn2ccccc2=O)c1
InChIInChI=1S/C25H27N3O3/c1-19(22-11-8-12-23(17-22)26-20(2)29)28(18-21-9-4-3-5-10-21)25(31)14-16-27-15-7-6-13-24(27)30/h3-13,15,17,19H,14,16,18H2,1-2H3,(H,26,29)
InChIKeyZRIXDCMYSLKTJF-UHFFFAOYSA-N
XLogP3.99
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55505752
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide
CID 55505497
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16611716
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 43078079
N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide
CID 30126182
(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide
CID 16583449
N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide
CID 41046714
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55668527
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(prop-2-enoylamino)benzamide
CID 167864313
N-[3-[2-[1-(3-acetamidophenyl)ethyl-benzylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55633083
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
CID 86979650
N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979438

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide (CID 86979589) is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide is CC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CCn2ccccc2=O)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is ZRIXDCMYSLKTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-19(22-11-8-12-23(17-22)26-20(2)29)28(18-21-9-4-3-5-10-21)25(31)14-16-27-15-7-6-13-24(27)30/h3-13,15,17,19H,14,16,18H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide?
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 417.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 86979589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).