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

C17H20N2O2 — CID 61112078

IUPAC3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cccc(N)c1C
InChIInChI=1S/C17H20N2O2/c1-12-14(8-6-9-15(12)18)17(20)19(2)11-13-7-4-5-10-16(13)21-3/h4-10H,11,18H2,1-3H3
InChIKeyYWEDGGUIFXHCKG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds4

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

3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide (PubChem CID 61112078) 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,2-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
PubChem CID61112078
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cccc(N)c1C
InChIInChI=1S/C17H20N2O2/c1-12-14(8-6-9-15(12)18)17(20)19(2)11-13-7-4-5-10-16(13)21-3/h4-10H,11,18H2,1-3H3
InChIKeyYWEDGGUIFXHCKG-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

N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 43458368
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61112841
6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118651
2-amino-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105385482
(3-amino-2-methylphenyl)-(2-methoxyphenyl)methanone
CID 82044477
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide (CID 61112078) is 3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide is COc1ccccc1CN(C)C(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is YWEDGGUIFXHCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-14(8-6-9-15(12)18)17(20)19(2)11-13-7-4-5-10-16(13)21-3/h4-10H,11,18H2,1-3H3.
What are the key properties of 3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide?
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-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,2-dimethylbenzamide is sourced from PubChem (CID 61112078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).