3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

C24H25N3O3 — CID 54837384

IUPAC3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCCOc1cccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O3/c1-3-30-22-14-8-11-20(16-22)26-23(28)17-25-19-10-7-9-18(15-19)24(29)27(2)21-12-5-4-6-13-21/h4-16,25H,3,17H2,1-2H3,(H,26,28)
InChIKeyHHOAZHIJVBJAJV-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.41
Rot. Bonds8

About 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54837384) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54837384
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCCOc1cccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O3/c1-3-30-22-14-8-11-20(16-22)26-23(28)17-25-19-10-7-9-18(15-19)24(29)27(2)21-12-5-4-6-13-21/h4-16,25H,3,17H2,1-2H3,(H,26,28)
InChIKeyHHOAZHIJVBJAJV-UHFFFAOYSA-N
XLogP4.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54824843
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838445
N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54825738
N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838448
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
N-(2-methoxyethyl)-3-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54838787
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (CID 54837384) is 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is CCOc1cccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)c1.
What is the InChIKey of 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is HHOAZHIJVBJAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-30-22-14-8-11-20(16-22)26-23(28)17-25-19-10-7-9-18(15-19)24(29)27(2)21-12-5-4-6-13-21/h4-16,25H,3,17H2,1-2H3,(H,26,28).
What are the key properties of 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 403.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54837384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).