5-amino-N-benzyl-2-ethoxybenzamide

C16H18N2O2 — CID 141452184

IUPAC5-amino-N-benzyl-2-ethoxybenzamide
SMILESCCOc1ccc(N)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-20-15-9-8-13(17)10-14(15)16(19)18-11-12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyANGWXZAXVHBBGW-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.60
Rot. Bonds5

About 5-amino-N-benzyl-2-ethoxybenzamide

5-amino-N-benzyl-2-ethoxybenzamide (PubChem CID 141452184) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-amino-N-benzyl-2-ethoxybenzamide.

Molecular Properties

Compound Name5-amino-N-benzyl-2-ethoxybenzamide
PubChem CID141452184
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-amino-N-benzyl-2-ethoxybenzamide
SMILESCCOc1ccc(N)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-20-15-9-8-13(17)10-14(15)16(19)18-11-12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyANGWXZAXVHBBGW-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

5-amino-2-ethoxy-N-ethylbenzamide
CID 28689994
N-[(3-aminophenyl)methyl]-2-ethoxybenzamide
CID 62499627
N-[(3-aminophenyl)methyl]-2-ethoxy-5-methylbenzamide
CID 130278867
5-amino-N-butyl-2-ethoxybenzamide
CID 28689998
ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride
CID 24838474
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 17353041
2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4739481
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-2-ethoxybenzamide?
The IUPAC name of 5-amino-N-benzyl-2-ethoxybenzamide (CID 141452184) is 5-amino-N-benzyl-2-ethoxybenzamide.
What is the SMILES notation for 5-amino-N-benzyl-2-ethoxybenzamide?
The canonical SMILES for 5-amino-N-benzyl-2-ethoxybenzamide is CCOc1ccc(N)cc1C(=O)NCc1ccccc1.
What is the InChIKey of 5-amino-N-benzyl-2-ethoxybenzamide?
The InChIKey is ANGWXZAXVHBBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-15-9-8-13(17)10-14(15)16(19)18-11-12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-benzyl-2-ethoxybenzamide?
5-amino-N-benzyl-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 5-amino-N-benzyl-2-ethoxybenzamide is sourced from PubChem (CID 141452184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).