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

C17H20N2O2 — CID 61027377

IUPAC3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C17H20N2O2/c1-12-8-9-13(10-15(12)18)17(20)19(2)11-14-6-4-5-7-16(14)21-3/h4-10H,11,18H2,1-3H3
InChIKeyAZUOBAHCZOETNO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds4

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

3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide (PubChem CID 61027377) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
PubChem CID61027377
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C17H20N2O2/c1-12-8-9-13(10-15(12)18)17(20)19(2)11-14-6-4-5-7-16(14)21-3/h4-10H,11,18H2,1-3H3
InChIKeyAZUOBAHCZOETNO-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

3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
N-[(2-methoxyphenyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 27824435
3-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 86780225
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61112078
3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide (CID 61027377) is 3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide is COc1ccccc1CN(C)C(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is AZUOBAHCZOETNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-8-9-13(10-15(12)18)17(20)19(2)11-14-6-4-5-7-16(14)21-3/h4-10H,11,18H2,1-3H3.
What are the key properties of 3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide?
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide 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-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 61027377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).