2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide

C16H19N3O2 — CID 28894649

IUPAC2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)c2ccc(N)cc2)c1
InChIInChI=1S/C16H19N3O2/c1-19(14-8-6-12(17)7-9-14)11-16(20)18-13-4-3-5-15(10-13)21-2/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyCUVFSOYMWLBNKG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.35
Rot. Bonds5

About 2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide

2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide (PubChem CID 28894649) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide
PubChem CID28894649
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)c2ccc(N)cc2)c1
InChIInChI=1S/C16H19N3O2/c1-19(14-8-6-12(17)7-9-14)11-16(20)18-13-4-3-5-15(10-13)21-2/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyCUVFSOYMWLBNKG-UHFFFAOYSA-N
XLogP2.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 86780450
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
CID 78815657
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 63761521

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide (CID 28894649) is 2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)c2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide?
The InChIKey is CUVFSOYMWLBNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(14-8-6-12(17)7-9-14)11-16(20)18-13-4-3-5-15(10-13)21-2/h3-10H,11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide?
2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 28894649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).