2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide

C17H20N2O2 — CID 115413362

IUPAC2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C17H20N2O2/c1-3-12-6-4-5-7-13(12)11-19-17(20)15-9-8-14(21-2)10-16(15)18/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyNEXVGBGUGVSFRV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.77
Rot. Bonds5

About 2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide

2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide (PubChem CID 115413362) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
PubChem CID115413362
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C17H20N2O2/c1-3-12-6-4-5-7-13(12)11-19-17(20)15-9-8-14(21-2)10-16(15)18/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyNEXVGBGUGVSFRV-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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

2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
CID 64682133
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 114332211
2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955995
2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide
CID 115412681
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
CID 62951377
2-amino-4-methoxy-N-[2-(methoxymethyl)phenyl]benzamide
CID 115412626
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide
CID 82546293
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide (CID 115413362) is 2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide is CCc1ccccc1CNC(=O)c1ccc(OC)cc1N.
What is the InChIKey of 2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide?
The InChIKey is NEXVGBGUGVSFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-12-6-4-5-7-13(12)11-19-17(20)15-9-8-14(21-2)10-16(15)18/h4-10H,3,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide?
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 115413362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).