2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C19H23N3O4 — CID 109003188

IUPAC2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-13(23)22-16-6-4-5-15(10-16)20-12-19(24)21-11-14-7-8-17(25-2)18(9-14)26-3/h4-10,20H,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGXUDYAFJVSMUDV-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.39
Rot. Bonds8

About 2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 109003188) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID109003188
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-13(23)22-16-6-4-5-15(10-16)20-12-19(24)21-11-14-7-8-17(25-2)18(9-14)26-3/h4-10,20H,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGXUDYAFJVSMUDV-UHFFFAOYSA-N
XLogP2.39
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide
CID 55544425
2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26417644
N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
CID 108949928
2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003192
2-(3-acetamidoanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000800
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553002
3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028172
N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109003193
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749
N-[3-[[3-[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112956445

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 109003188) is 2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CNc2cccc(NC(C)=O)c2)cc1OC.
What is the InChIKey of 2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is GXUDYAFJVSMUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(23)22-16-6-4-5-15(10-16)20-12-19(24)21-11-14-7-8-17(25-2)18(9-14)26-3/h4-10,20H,11-12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 109003188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).