2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide

C16H18N2O2 — CID 62510394

IUPAC2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(C)ccc2N)cc1C
InChIInChI=1S/C16H18N2O2/c1-10-4-6-14(17)13(8-10)16(19)18-12-5-7-15(20-3)11(2)9-12/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyQXGKZSUOAMBLBR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.15
Rot. Bonds3

About 2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide

2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide (PubChem CID 62510394) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
PubChem CID62510394
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(C)ccc2N)cc1C
InChIInChI=1S/C16H18N2O2/c1-10-4-6-14(17)13(8-10)16(19)18-12-5-7-15(20-3)11(2)9-12/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyQXGKZSUOAMBLBR-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(4-methoxy-3-methylphenyl)-4-methylbenzamide
CID 47317808
2-amino-N-(3-methoxyphenyl)-5-methylbenzamide
CID 55069541
2-methoxy-5-methyl-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 9257170
2-hydrazinyl-N-(4-methoxy-3-methylphenyl)benzamide
CID 62236085
N-(3-amino-2,6-dimethylphenyl)-2-methoxy-5-methylbenzamide
CID 62503695
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
2-amino-N-(3-hydroxy-4-methoxyphenyl)-5-methoxybenzamide
CID 115412684
N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 63999813
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
2-amino-5-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 62510532
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide (CID 62510394) is 2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide is COc1ccc(NC(=O)c2cc(C)ccc2N)cc1C.
What is the InChIKey of 2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide?
The InChIKey is QXGKZSUOAMBLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-4-6-14(17)13(8-10)16(19)18-12-5-7-15(20-3)11(2)9-12/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide?
2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide is sourced from PubChem (CID 62510394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).