2-(2,4-dinitroanilino)-N-ethylacetamide

C10H12N4O5 — CID 60653895

IUPAC2-(2,4-dinitroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O5/c1-2-11-10(15)6-12-8-4-3-7(13(16)17)5-9(8)14(18)19/h3-5,12H,2,6H2,1H3,(H,11,15)
InChIKeyMOQYKEBBRBRELT-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.05
Rot. Bonds6

About 2-(2,4-dinitroanilino)-N-ethylacetamide

2-(2,4-dinitroanilino)-N-ethylacetamide (PubChem CID 60653895) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-(2,4-dinitroanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,4-dinitroanilino)-N-ethylacetamide
PubChem CID60653895
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name2-(2,4-dinitroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O5/c1-2-11-10(15)6-12-8-4-3-7(13(16)17)5-9(8)14(18)19/h3-5,12H,2,6H2,1H3,(H,11,15)
InChIKeyMOQYKEBBRBRELT-UHFFFAOYSA-N
XLogP1.05
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dinitroanilino)-N-methylacetamide
CID 60647475
2-(2,4-dinitroanilino)acetate
CID 4738135
N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-(2,4-dinitroanilino)acetamide
CID 159150951
2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide
CID 66221346
4-(2,4-dinitroanilino)-3-oxobutanoic acid
CID 155683066
N-(4-bromo-2-methylphenyl)-2-(2,4-dinitroanilino)acetamide
CID 9185550
(2S)-2-[[2-(2,4-dinitroanilino)acetyl]amino]-3-phenylpropanoic acid
CID 170439782
2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide
CID 66112618
2-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813
2-[[2-(2-methyl-4-nitroanilino)acetyl]amino]acetic acid
CID 43465699
3-(2,4-dinitroanilino)-2,2-dimethylpropanoic acid
CID 115427614
diazomethanone;2-(2,4-dinitroanilino)acetic acid
CID 20833188

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitroanilino)-N-ethylacetamide?
The IUPAC name of 2-(2,4-dinitroanilino)-N-ethylacetamide (CID 60653895) is 2-(2,4-dinitroanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2,4-dinitroanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2,4-dinitroanilino)-N-ethylacetamide is CCNC(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dinitroanilino)-N-ethylacetamide?
The InChIKey is MOQYKEBBRBRELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5/c1-2-11-10(15)6-12-8-4-3-7(13(16)17)5-9(8)14(18)19/h3-5,12H,2,6H2,1H3,(H,11,15).
What are the key properties of 2-(2,4-dinitroanilino)-N-ethylacetamide?
2-(2,4-dinitroanilino)-N-ethylacetamide has a molecular weight of 268.23 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitroanilino)-N-ethylacetamide is sourced from PubChem (CID 60653895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).