2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide

C18H20N2O4 — CID 113167201

IUPAC2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-13(21)20(15-7-5-4-6-8-15)12-18(22)19-14-9-10-16(23-2)17(11-14)24-3/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyOMIVWQQQTHNUNO-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.70
Rot. Bonds6

About 2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide

2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113167201) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID113167201
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-13(21)20(15-7-5-4-6-8-15)12-18(22)19-14-9-10-16(23-2)17(11-14)24-3/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyOMIVWQQQTHNUNO-UHFFFAOYSA-N
XLogP2.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113169343
2-(N-acetyl-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167396
2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181503
2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113180763
2-(N-acetyl-2-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113173805
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide
CID 113174936
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181335
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113170654
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide (CID 113167201) is 2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C(C)=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is OMIVWQQQTHNUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13(21)20(15-7-5-4-6-8-15)12-18(22)19-14-9-10-16(23-2)17(11-14)24-3/h4-11H,12H2,1-3H3,(H,19,22).
What are the key properties of 2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113167201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).