3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

C24H25N3O2 — CID 54837458

IUPAC3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCc1ccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1C
InChIInChI=1S/C24H25N3O2/c1-17-12-13-21(14-18(17)2)26-23(28)16-25-20-9-7-8-19(15-20)24(29)27(3)22-10-5-4-6-11-22/h4-15,25H,16H2,1-3H3,(H,26,28)
InChIKeyDMXDBYOLCXLJKF-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.63
Rot. Bonds6

About 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54837458) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54837458
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCc1ccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1C
InChIInChI=1S/C24H25N3O2/c1-17-12-13-21(14-18(17)2)26-23(28)16-25-20-9-7-8-19(15-20)24(29)27(3)22-10-5-4-6-11-22/h4-15,25H,16H2,1-3H3,(H,26,28)
InChIKeyDMXDBYOLCXLJKF-UHFFFAOYSA-N
XLogP4.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
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
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-(2,3-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54816099
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837384
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
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (CID 54837458) is 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is Cc1ccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1C.
What is the InChIKey of 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is DMXDBYOLCXLJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-12-13-21(14-18(17)2)26-23(28)16-25-20-9-7-8-19(15-20)24(29)27(3)22-10-5-4-6-11-22/h4-15,25H,16H2,1-3H3,(H,26,28).
What are the key properties of 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 387.48 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54837458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).