4-acetamido-N-(2,2-dimethoxyethyl)benzamide

C13H18N2O4 — CID 110463963

IUPAC4-acetamido-N-(2,2-dimethoxyethyl)benzamide
SMILESCOC(CNC(=O)c1ccc(NC(C)=O)cc1)OC
InChIInChI=1S/C13H18N2O4/c1-9(16)15-11-6-4-10(5-7-11)13(17)14-8-12(18-2)19-3/h4-7,12H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQXLJSYAJVOTYJP-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.99
Rot. Bonds6

About 4-acetamido-N-(2,2-dimethoxyethyl)benzamide

4-acetamido-N-(2,2-dimethoxyethyl)benzamide (PubChem CID 110463963) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-acetamido-N-(2,2-dimethoxyethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(2,2-dimethoxyethyl)benzamide
PubChem CID110463963
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-acetamido-N-(2,2-dimethoxyethyl)benzamide
SMILESCOC(CNC(=O)c1ccc(NC(C)=O)cc1)OC
InChIInChI=1S/C13H18N2O4/c1-9(16)15-11-6-4-10(5-7-11)13(17)14-8-12(18-2)19-3/h4-7,12H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQXLJSYAJVOTYJP-UHFFFAOYSA-N
XLogP0.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide
CID 108792637
N-(2,2-dimethoxyethyl)-4-iodobenzamide
CID 10903782
N-(2,2-dimethoxyethyl)-4-methylsulfanylbenzamide
CID 79214484
4-acetamido-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103658545
2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid
CID 65218021
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
CID 55025954
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
4-(carbamoylamino)-N-(2-methylpropyl)benzamide
CID 47106060

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2,2-dimethoxyethyl)benzamide?
The IUPAC name of 4-acetamido-N-(2,2-dimethoxyethyl)benzamide (CID 110463963) is 4-acetamido-N-(2,2-dimethoxyethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(2,2-dimethoxyethyl)benzamide?
The canonical SMILES for 4-acetamido-N-(2,2-dimethoxyethyl)benzamide is COC(CNC(=O)c1ccc(NC(C)=O)cc1)OC.
What is the InChIKey of 4-acetamido-N-(2,2-dimethoxyethyl)benzamide?
The InChIKey is QXLJSYAJVOTYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(16)15-11-6-4-10(5-7-11)13(17)14-8-12(18-2)19-3/h4-7,12H,8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 4-acetamido-N-(2,2-dimethoxyethyl)benzamide?
4-acetamido-N-(2,2-dimethoxyethyl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2,2-dimethoxyethyl)benzamide is sourced from PubChem (CID 110463963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).