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

C16H18N2O3 — CID 22732292

IUPACN-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(N)c2)cc1OC
InChIInChI=1S/C16H18N2O3/c1-10-4-6-12(9-13(10)17)18-16(19)11-5-7-14(20-2)15(8-11)21-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyQAVYUKZEBMZDRP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.85
Rot. Bonds4

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

N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide (PubChem CID 22732292) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
PubChem CID22732292
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(N)c2)cc1OC
InChIInChI=1S/C16H18N2O3/c1-10-4-6-12(9-13(10)17)18-16(19)11-5-7-14(20-2)15(8-11)21-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyQAVYUKZEBMZDRP-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-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 28723700
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide (CID 22732292) is N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(C)c(N)c2)cc1OC.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide?
The InChIKey is QAVYUKZEBMZDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-4-6-12(9-13(10)17)18-16(19)11-5-7-14(20-2)15(8-11)21-3/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide?
N-(3-amino-4-methylphenyl)-3,4-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-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 22732292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).