N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide

C13H17N3O5 — CID 108530028

IUPACN'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)NC(=O)c1ccc(N)cc1)OC
InChIInChI=1S/C13H17N3O5/c1-20-10(21-2)7-15-12(18)13(19)16-11(17)8-3-5-9(14)6-4-8/h3-6,10H,7,14H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyUROVJMWNYWMHLK-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.74
Rot. Bonds5

About N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide

N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide (PubChem CID 108530028) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide
PubChem CID108530028
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)NC(=O)c1ccc(N)cc1)OC
InChIInChI=1S/C13H17N3O5/c1-20-10(21-2)7-15-12(18)13(19)16-11(17)8-3-5-9(14)6-4-8/h3-6,10H,7,14H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyUROVJMWNYWMHLK-UHFFFAOYSA-N
XLogP-0.74
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108516166
N-(2,2-dimethoxyethyl)-4-iodobenzamide
CID 10903782
4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
CID 102695091
4-amino-N-(2-methylpropylcarbamoyl)benzamide
CID 108867331
ethyl 4-[[2-[(4-aminobenzoyl)amino]-2-oxoacetyl]amino]benzoate
CID 108500149
4-acetamido-N-(2,2-dimethoxyethyl)benzamide
CID 110463963
N-(2,2-dimethoxyethyl)-4-methylsulfanylbenzamide
CID 79214484
N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide
CID 108526364
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
N'-(2,2-dimethoxyethyl)-N-ethyloxamide
CID 44997787
N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide
CID 108517686
N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518379

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide?
The IUPAC name of N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide (CID 108530028) is N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide.
What is the SMILES notation for N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide?
The canonical SMILES for N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide is COC(CNC(=O)C(=O)NC(=O)c1ccc(N)cc1)OC.
What is the InChIKey of N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide?
The InChIKey is UROVJMWNYWMHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-20-10(21-2)7-15-12(18)13(19)16-11(17)8-3-5-9(14)6-4-8/h3-6,10H,7,14H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide?
N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide has a molecular weight of 295.30 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide is sourced from PubChem (CID 108530028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).