4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide

C16H18N2O2 — CID 43697374

IUPAC4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide
SMILESCOc1c(C)ccc(NC(=O)c2ccc(N)cc2)c1C
InChIInChI=1S/C16H18N2O2/c1-10-4-9-14(11(2)15(10)20-3)18-16(19)12-5-7-13(17)8-6-12/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyPNRBYIJEJBNFJF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.15
Rot. Bonds3

About 4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide

4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide (PubChem CID 43697374) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide
PubChem CID43697374
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide
SMILESCOc1c(C)ccc(NC(=O)c2ccc(N)cc2)c1C
InChIInChI=1S/C16H18N2O2/c1-10-4-9-14(11(2)15(10)20-3)18-16(19)12-5-7-13(17)8-6-12/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyPNRBYIJEJBNFJF-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

6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 66462513
5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide
CID 78949082
5-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 63860127
2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 114325733
2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide
CID 63110657
(2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide
CID 61147125
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide
CID 43696159
2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
CID 62726523
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
(2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide
CID 79011717
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide?
The IUPAC name of 4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide (CID 43697374) is 4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide is COc1c(C)ccc(NC(=O)c2ccc(N)cc2)c1C.
What is the InChIKey of 4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide?
The InChIKey is PNRBYIJEJBNFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-4-9-14(11(2)15(10)20-3)18-16(19)12-5-7-13(17)8-6-12/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide?
4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide 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 4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 43697374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).