3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide

C25H28N2O4 — CID 56525852

IUPAC3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCN(C)c2ccccc2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H28N2O4/c1-27(21-13-9-8-12-20(21)18-10-6-5-7-11-18)15-14-24(28)26-19-16-22(29-2)25(31-4)23(17-19)30-3/h5-13,16-17H,14-15H2,1-4H3,(H,26,28)
InChIKeyUMLIGHJQSXXFBI-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.84
Rot. Bonds9

About 3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide

3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 56525852) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID56525852
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCN(C)c2ccccc2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H28N2O4/c1-27(21-13-9-8-12-20(21)18-10-6-5-7-11-18)15-14-24(28)26-19-16-22(29-2)25(31-4)23(17-19)30-3/h5-13,16-17H,14-15H2,1-4H3,(H,26,28)
InChIKeyUMLIGHJQSXXFBI-UHFFFAOYSA-N
XLogP4.84
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
3-[[(2R)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 97186149
3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 97186150
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113167430
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16590579
N'-(2-cyanoethyl)-N'-phenyl-N-(3,4,5-trimethoxyphenyl)butanediamide
CID 56516214
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113120316
3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113123896
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154

Frequently Asked Questions

What is the IUPAC name of 3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 56525852) is 3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCN(C)c2ccccc2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is UMLIGHJQSXXFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-27(21-13-9-8-12-20(21)18-10-6-5-7-11-18)15-14-24(28)26-19-16-22(29-2)25(31-4)23(17-19)30-3/h5-13,16-17H,14-15H2,1-4H3,(H,26,28).
What are the key properties of 3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 420.51 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 56525852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).