2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

C20H24N2O5 — CID 113167430

IUPAC2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C(C)=O)c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-13-8-6-7-9-16(13)22(14(2)23)12-19(24)21-15-10-17(25-3)20(27-5)18(11-15)26-4/h6-11H,12H2,1-5H3,(H,21,24)
InChIKeySMDQUMGGEHUBEN-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.01
Rot. Bonds7

About 2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 113167430) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID113167430
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C(C)=O)c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-13-8-6-7-9-16(13)22(14(2)23)12-19(24)21-15-10-17(25-3)20(27-5)18(11-15)26-4/h6-11H,12H2,1-5H3,(H,21,24)
InChIKeySMDQUMGGEHUBEN-UHFFFAOYSA-N
XLogP3.01
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167396
2-(N-acetyl-2-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113167394
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113179163
2-(N-acetyl-2-methylanilino)-N-(4-phenoxyphenyl)acetamide
CID 113167416
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113181914
2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113180763
2-(N-acetyl-2-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113173805
methyl 2-(N-acetyl-2-methylanilino)acetate
CID 20717630
N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108953821
2-(N-acetyl-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113167302
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557
2-[acetyl(2-methoxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113159965

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 113167430) is 2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(C(C)=O)c2ccccc2C)cc(OC)c1OC.
What is the InChIKey of 2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is SMDQUMGGEHUBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13-8-6-7-9-16(13)22(14(2)23)12-19(24)21-15-10-17(25-3)20(27-5)18(11-15)26-4/h6-11H,12H2,1-5H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 372.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 113167430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).