N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide

C17H20N2O2 — CID 107999896

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
SMILESCOc1ccc(CNC(=O)c2c(C)cccc2C)cc1N
InChIInChI=1S/C17H20N2O2/c1-11-5-4-6-12(2)16(11)17(20)19-10-13-7-8-15(21-3)14(18)9-13/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeySAAQCKKTAUDDKF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.82
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide

N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide (PubChem CID 107999896) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
PubChem CID107999896
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
SMILESCOc1ccc(CNC(=O)c2c(C)cccc2C)cc1N
InChIInChI=1S/C17H20N2O2/c1-11-5-4-6-12(2)16(11)17(20)19-10-13-7-8-15(21-3)14(18)9-13/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeySAAQCKKTAUDDKF-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
CID 60971357
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358
N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 107670603
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
CID 131891690
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 60972241

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide (CID 107999896) is N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide is COc1ccc(CNC(=O)c2c(C)cccc2C)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide?
The InChIKey is SAAQCKKTAUDDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-5-4-6-12(2)16(11)17(20)19-10-13-7-8-15(21-3)14(18)9-13/h4-9H,10,18H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide?
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 107999896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).