3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide

C17H20N2O2 — CID 43574048

IUPAC3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2C)cc1N
InChIInChI=1S/C17H20N2O2/c1-12-6-4-5-7-14(12)11-19(2)17(20)13-8-9-16(21-3)15(18)10-13/h4-10H,11,18H2,1-3H3
InChIKeyNZYOKNHCDAURHZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds4

About 3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide

3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 43574048) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
PubChem CID43574048
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2C)cc1N
InChIInChI=1S/C17H20N2O2/c1-12-6-4-5-7-14(12)11-19(2)17(20)13-8-9-16(21-3)15(18)10-13/h4-10H,11,18H2,1-3H3
InChIKeyNZYOKNHCDAURHZ-UHFFFAOYSA-N
XLogP2.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 61094065
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 51161410
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide (CID 43574048) is 3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide is COc1ccc(C(=O)N(C)Cc2ccccc2C)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is NZYOKNHCDAURHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-6-4-5-7-14(12)11-19(2)17(20)13-8-9-16(21-3)15(18)10-13/h4-10H,11,18H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 43574048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).