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

C24H24N4O3 — CID 54837465

IUPAC3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)c1
InChIInChI=1S/C24H24N4O3/c1-17(29)26-20-10-7-11-21(15-20)27-23(30)16-25-19-9-6-8-18(14-19)24(31)28(2)22-12-4-3-5-13-22/h3-15,25H,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyDPMBZCLGCAONLQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.97
Rot. Bonds7

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

3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54837465) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54837465
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)c1
InChIInChI=1S/C24H24N4O3/c1-17(29)26-20-10-7-11-21(15-20)27-23(30)16-25-19-9-6-8-18(14-19)24(31)28(2)22-12-4-3-5-13-22/h3-15,25H,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyDPMBZCLGCAONLQ-UHFFFAOYSA-N
XLogP3.97
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
CID 54831552
N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837413
N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837466
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837384
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
N-(2-methoxyethyl)-3-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54838787
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840259
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837432

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (CID 54837465) is 3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is CC(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)c1.
What is the InChIKey of 3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is DPMBZCLGCAONLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-17(29)26-20-10-7-11-21(15-20)27-23(30)16-25-19-9-6-8-18(14-19)24(31)28(2)22-12-4-3-5-13-22/h3-15,25H,16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 416.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54837465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).