N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide

C16H18N2O3 — CID 24691830

IUPACN-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N)cc2C)c1OC
InChIInChI=1S/C16H18N2O3/c1-10-9-11(17)7-8-13(10)18-16(19)12-5-4-6-14(20-2)15(12)21-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyAVWWEPYGSCWJTJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.85
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide

N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide (PubChem CID 24691830) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide
PubChem CID24691830
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N)cc2C)c1OC
InChIInChI=1S/C16H18N2O3/c1-10-9-11(17)7-8-13(10)18-16(19)12-5-4-6-14(20-2)15(12)21-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyAVWWEPYGSCWJTJ-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'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471
N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
CID 103807583
N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
CID 26524219
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
N-(4-amino-2-hydroxyphenyl)-2-methoxybenzamide
CID 51063245
N-(4-amino-2,6-dimethylphenyl)-2-methoxy-3-methylbenzamide
CID 50880475
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
[2-(4-fluoro-2-methylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 46924880
N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide
CID 28546769
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide (CID 24691830) is N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc(N)cc2C)c1OC.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide?
The InChIKey is AVWWEPYGSCWJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-9-11(17)7-8-13(10)18-16(19)12-5-4-6-14(20-2)15(12)21-3/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide?
N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide 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 N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 24691830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).