N-[(3-aminophenyl)methyl]-2-ethoxybenzamide

C16H18N2O2 — CID 62499627

IUPACN-[(3-aminophenyl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1cccc(N)c1
InChIInChI=1S/C16H18N2O2/c1-2-20-15-9-4-3-8-14(15)16(19)18-11-12-6-5-7-13(17)10-12/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyQJUCADBBNGRTCH-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.60
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-2-ethoxybenzamide

N-[(3-aminophenyl)methyl]-2-ethoxybenzamide (PubChem CID 62499627) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-ethoxybenzamide
PubChem CID62499627
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(3-aminophenyl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1cccc(N)c1
InChIInChI=1S/C16H18N2O2/c1-2-20-15-9-4-3-8-14(15)16(19)18-11-12-6-5-7-13(17)10-12/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyQJUCADBBNGRTCH-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.60
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

N-[(3-aminophenyl)methyl]-2-ethoxy-5-methylbenzamide
CID 130278867
5-amino-N-benzyl-2-ethoxybenzamide
CID 141452184
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
CID 46415447
N-[(3-aminophenyl)methyl]-2-(difluoromethoxy)benzamide
CID 62499799
2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4739481
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 47060191
[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]boronic acid
CID 140927924
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
CID 62500246
N-[3-(benzylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 28638874
N-benzyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]benzamide
CID 7981661

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-ethoxybenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-ethoxybenzamide (CID 62499627) is N-[(3-aminophenyl)methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-ethoxybenzamide?
The InChIKey is QJUCADBBNGRTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-15-9-4-3-8-14(15)16(19)18-11-12-6-5-7-13(17)10-12/h3-10H,2,11,17H2,1H3,(H,18,19).
What are the key properties of N-[(3-aminophenyl)methyl]-2-ethoxybenzamide?
N-[(3-aminophenyl)methyl]-2-ethoxybenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-ethoxybenzamide is sourced from PubChem (CID 62499627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).