2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide

C16H18N2O3 — CID 14127147

IUPAC2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
SMILESCOc1cc(N)c(C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C16H18N2O3/c1-10-6-4-5-7-13(10)18-16(19)11-8-14(20-2)15(21-3)9-12(11)17/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyQWYMRIFBVBNANB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.85
Rot. Bonds4

About 2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide

2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide (PubChem CID 14127147) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
PubChem CID14127147
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
SMILESCOc1cc(N)c(C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C16H18N2O3/c1-10-6-4-5-7-13(10)18-16(19)11-8-14(20-2)15(21-3)9-12(11)17/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyQWYMRIFBVBNANB-UHFFFAOYSA-N
XLogP2.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-methoxy-N-(2-methylphenyl)benzamide
CID 81410704
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide
CID 43549160
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide
CID 17257138
N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 7311914
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
CID 61168074
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
N-(4-amino-5-methoxy-2-methylphenyl)-2-chlorobenzamide
CID 70635725

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide?
The IUPAC name of 2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide (CID 14127147) is 2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide?
The canonical SMILES for 2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide is COc1cc(N)c(C(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of 2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide?
The InChIKey is QWYMRIFBVBNANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-6-4-5-7-13(10)18-16(19)11-8-14(20-2)15(21-3)9-12(11)17/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide?
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide has a molecular weight of 286.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 14127147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).