N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide

C11H13N3O5 — CID 134056434

IUPACN-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide
SMILESCCONC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O5/c1-2-19-13-10(15)7-12-11(16)8-4-3-5-9(6-8)14(17)18/h3-6H,2,7H2,1H3,(H,12,16)(H,13,15)
InChIKeyDTRGMERWXLMVGI-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.39
Rot. Bonds6

About N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide

N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide (PubChem CID 134056434) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide
PubChem CID134056434
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC NameN-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide
SMILESCCONC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O5/c1-2-19-13-10(15)7-12-11(16)8-4-3-5-9(6-8)14(17)18/h3-6H,2,7H2,1H3,(H,12,16)(H,13,15)
InChIKeyDTRGMERWXLMVGI-UHFFFAOYSA-N
XLogP0.39
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-3-nitrobenzamide
CID 43019458
2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate
CID 9269466
N-(3-methyl-2-oxobutyl)-3-nitrobenzamide
CID 64994183
N-[2-(heptan-2-ylamino)-2-oxoethyl]-3-nitrobenzamide
CID 51185717
3-nitro-N-[2-(octan-2-ylamino)-2-oxoethyl]benzamide
CID 51185866
ethyl N-diazo-2-[(3-nitrobenzoyl)amino]ethanehydrazonate
CID 20978017
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24546450
3-nitro-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 40728196
N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide
CID 26679344
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 9164655
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269495
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide?
The IUPAC name of N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide (CID 134056434) is N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide?
The canonical SMILES for N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide is CCONC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide?
The InChIKey is DTRGMERWXLMVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-2-19-13-10(15)7-12-11(16)8-4-3-5-9(6-8)14(17)18/h3-6H,2,7H2,1H3,(H,12,16)(H,13,15).
What are the key properties of N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide?
N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide has a molecular weight of 267.24 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide is sourced from PubChem (CID 134056434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).