N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide

C17H17N3O4 — CID 108529371

IUPACN'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NC(=O)c1ccccc1N
InChIInChI=1S/C17H17N3O4/c1-2-24-14-10-6-5-9-13(14)19-16(22)17(23)20-15(21)11-7-3-4-8-12(11)18/h3-10H,2,18H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyDPSZGBDVRVRZTD-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.56
Rot. Bonds4

About N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide

N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide (PubChem CID 108529371) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide
PubChem CID108529371
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NC(=O)c1ccccc1N
InChIInChI=1S/C17H17N3O4/c1-2-24-14-10-6-5-9-13(14)19-16(22)17(23)20-15(21)11-7-3-4-8-12(11)18/h3-10H,2,18H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyDPSZGBDVRVRZTD-UHFFFAOYSA-N
XLogP1.56
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793
2-amino-N-(2-ethoxyphenyl)-5-hydroxybenzamide
CID 107073822
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide
CID 108869836
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide
CID 108531107
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
N-(2-ethoxyphenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide
CID 135615618
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131059

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide?
The IUPAC name of N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide (CID 108529371) is N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide.
What is the SMILES notation for N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide?
The canonical SMILES for N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide is CCOc1ccccc1NC(=O)C(=O)NC(=O)c1ccccc1N.
What is the InChIKey of N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide?
The InChIKey is DPSZGBDVRVRZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-2-24-14-10-6-5-9-13(14)19-16(22)17(23)20-15(21)11-7-3-4-8-12(11)18/h3-10H,2,18H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide?
N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide has a molecular weight of 327.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide is sourced from PubChem (CID 108529371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).