4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide

C17H20N2O3 — CID 10424874

IUPAC4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(N)cc2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-19(17(20)13-5-7-14(18)8-6-13)11-12-4-9-15(21-2)16(10-12)22-3/h4-10H,11,18H2,1-3H3
InChIKeyBCHZAOKTFOUBIA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.56
Rot. Bonds5

About 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide

4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 10424874) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
PubChem CID10424874
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(N)cc2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-19(17(20)13-5-7-14(18)8-6-13)11-12-4-9-15(21-2)16(10-12)22-3/h4-10H,11,18H2,1-3H3
InChIKeyBCHZAOKTFOUBIA-UHFFFAOYSA-N
XLogP2.56
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 10089639
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
CID 92679282
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
5-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735666
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 43457763

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide (CID 10424874) is 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(N)cc2)cc1OC.
What is the InChIKey of 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is BCHZAOKTFOUBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-19(17(20)13-5-7-14(18)8-6-13)11-12-4-9-15(21-2)16(10-12)22-3/h4-10H,11,18H2,1-3H3.
What are the key properties of 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 300.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 10424874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).