3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide

C17H20N2O2 — CID 78984271

IUPAC3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide
SMILESCCOc1cccc(CNC(=O)c2cccc(N)c2C)c1
InChIInChI=1S/C17H20N2O2/c1-3-21-14-7-4-6-13(10-14)11-19-17(20)15-8-5-9-16(18)12(15)2/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyYCNGISQRWQLFCN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.91
Rot. Bonds5

About 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide

3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide (PubChem CID 78984271) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide
PubChem CID78984271
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide
SMILESCCOc1cccc(CNC(=O)c2cccc(N)c2C)c1
InChIInChI=1S/C17H20N2O2/c1-3-21-14-7-4-6-13(10-14)11-19-17(20)15-8-5-9-16(18)12(15)2/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyYCNGISQRWQLFCN-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.91
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-benzoyl-N-[(3-ethoxyphenyl)methyl]benzamide
CID 55843893
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 65230237
4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 56920573
N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105380764
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
N-[(3-ethoxyphenyl)methylcarbamoyl]-2-hydroxybenzamide
CID 142955511
N-[(3-aminophenyl)methyl]-2-ethoxybenzamide
CID 62499627
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide (CID 78984271) is 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide is CCOc1cccc(CNC(=O)c2cccc(N)c2C)c1.
What is the InChIKey of 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide?
The InChIKey is YCNGISQRWQLFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-14-7-4-6-13(10-14)11-19-17(20)15-8-5-9-16(18)12(15)2/h4-10H,3,11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide?
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 78984271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).