2-[acetyl(ethoxy)amino]-N-benzylacetamide

C13H18N2O3 — CID 19029213

IUPAC2-[acetyl(ethoxy)amino]-N-benzylacetamide
SMILESCCON(CC(=O)NCc1ccccc1)C(C)=O
InChIInChI=1S/C13H18N2O3/c1-3-18-15(11(2)16)10-13(17)14-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,14,17)
InChIKeyGOPJWJBAJXAUQG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.10
Rot. Bonds6

About 2-[acetyl(ethoxy)amino]-N-benzylacetamide

2-[acetyl(ethoxy)amino]-N-benzylacetamide (PubChem CID 19029213) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[acetyl(ethoxy)amino]-N-benzylacetamide.

Molecular Properties

Compound Name2-[acetyl(ethoxy)amino]-N-benzylacetamide
PubChem CID19029213
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[acetyl(ethoxy)amino]-N-benzylacetamide
SMILESCCON(CC(=O)NCc1ccccc1)C(C)=O
InChIInChI=1S/C13H18N2O3/c1-3-18-15(11(2)16)10-13(17)14-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,14,17)
InChIKeyGOPJWJBAJXAUQG-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(diethylamino)acetamide
CID 969777
2-[acetyl(butan-2-yl)amino]-N-benzylacetamide
CID 113159031
2-[acetyl(propan-2-yl)amino]-N-benzylacetamide
CID 113158122
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
N-benzyl-2-[ethyl(propyl)amino]acetamide
CID 142231835
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
CID 113163044
benzene;ethyl N-benzylcarbamate
CID 67715166
N-benzyl-3-oxopentanamide
CID 10632061
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
3-benzyl-1-(2,2-diethoxyethyl)-1-phenylmethoxyurea
CID 44543381
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethoxy)amino]-N-benzylacetamide?
The IUPAC name of 2-[acetyl(ethoxy)amino]-N-benzylacetamide (CID 19029213) is 2-[acetyl(ethoxy)amino]-N-benzylacetamide.
What is the SMILES notation for 2-[acetyl(ethoxy)amino]-N-benzylacetamide?
The canonical SMILES for 2-[acetyl(ethoxy)amino]-N-benzylacetamide is CCON(CC(=O)NCc1ccccc1)C(C)=O.
What is the InChIKey of 2-[acetyl(ethoxy)amino]-N-benzylacetamide?
The InChIKey is GOPJWJBAJXAUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-18-15(11(2)16)10-13(17)14-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,14,17).
What are the key properties of 2-[acetyl(ethoxy)amino]-N-benzylacetamide?
2-[acetyl(ethoxy)amino]-N-benzylacetamide has a molecular weight of 250.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethoxy)amino]-N-benzylacetamide is sourced from PubChem (CID 19029213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).