N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide

C23H23N3O4 — CID 78862361

IUPACN-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CCn3ccccc3=O)cc2)cc1
InChIInChI=1S/C23H23N3O4/c1-2-30-20-12-10-19(11-13-20)25-23(29)17-6-8-18(9-7-17)24-21(27)14-16-26-15-4-3-5-22(26)28/h3-13,15H,2,14,16H2,1H3,(H,24,27)(H,25,29)
InChIKeyAQANNZQWHHJKML-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.53
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide

N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide (PubChem CID 78862361) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide
PubChem CID78862361
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CCn3ccccc3=O)cc2)cc1
InChIInChI=1S/C23H23N3O4/c1-2-30-20-12-10-19(11-13-20)25-23(29)17-6-8-18(9-7-17)24-21(27)14-16-26-15-4-3-5-22(26)28/h3-13,15H,2,14,16H2,1H3,(H,24,27)(H,25,29)
InChIKeyAQANNZQWHHJKML-UHFFFAOYSA-N
XLogP3.53
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979387
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 55486447
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791
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CID 4948723
4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide
CID 4270360
N-(4-ethoxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610716
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 43055653
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide (CID 78862361) is N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CCn3ccccc3=O)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide?
The InChIKey is AQANNZQWHHJKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-2-30-20-12-10-19(11-13-20)25-23(29)17-6-8-18(9-7-17)24-21(27)14-16-26-15-4-3-5-22(26)28/h3-13,15H,2,14,16H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide?
N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide has a molecular weight of 405.45 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[3-(2-oxo-1-pyridinyl)propanoylamino]benzamide is sourced from PubChem (CID 78862361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).