2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide

C17H20N2O2 — CID 81394623

IUPAC2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-4-21-15-7-5-6-14(18)16(15)17(20)19-13-9-8-11(2)12(3)10-13/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyXJPKJPBPMLMLJK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.54
Rot. Bonds4

About 2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide

2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide (PubChem CID 81394623) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
PubChem CID81394623
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-4-21-15-7-5-6-14(18)16(15)17(20)19-13-9-8-11(2)12(3)10-13/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyXJPKJPBPMLMLJK-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860
2-amino-N-(3-ethoxyphenyl)-6-methoxybenzamide
CID 81394304
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
CID 107624071
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide
CID 81420752
2-amino-N-cyclooctyl-6-ethoxybenzamide
CID 81396294
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 81420449
2-amino-N-(2-bromo-5-chlorophenyl)-6-ethoxybenzamide
CID 81394707

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide (CID 81394623) is 2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide?
The InChIKey is XJPKJPBPMLMLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-21-15-7-5-6-14(18)16(15)17(20)19-13-9-8-11(2)12(3)10-13/h5-10H,4,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide?
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide is sourced from PubChem (CID 81394623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).