2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide

C11H14N4O5 — CID 66221346

IUPAC2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O5/c1-2-13-11(16)7-12-6-8-3-4-9(14(17)18)5-10(8)15(19)20/h3-5,12H,2,6-7H2,1H3,(H,13,16)
InChIKeyRPRIWBAUOMXMFG-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.73
Rot. Bonds7

About 2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide

2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide (PubChem CID 66221346) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide
PubChem CID66221346
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O5/c1-2-13-11(16)7-12-6-8-3-4-9(14(17)18)5-10(8)15(19)20/h3-5,12H,2,6-7H2,1H3,(H,13,16)
InChIKeyRPRIWBAUOMXMFG-UHFFFAOYSA-N
XLogP0.73
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.73
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-ethylacetamide
CID 60653895
2-[(2-bromo-3-nitrophenyl)methylamino]-N-ethylacetamide
CID 114048733
N-[(2,4-dinitrophenyl)methyl]hexan-1-amine
CID 66221782
1-N-[(2,4-dinitrophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66221780
2-[(2,4-dinitrophenyl)methylamino]pentanoic acid
CID 66220925
N-[(2,4-dinitrophenyl)methyl]prop-2-en-1-amine
CID 66222839
1-cyclobutyl-N-[(2,4-dinitrophenyl)methyl]methanamine
CID 66223273
2-[(4-chloro-2-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 62100924
N-[(2,4-dinitrophenyl)methyl]butan-2-amine
CID 66223271
N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide
CID 9224321
N-[(2,4-dinitrophenyl)methyl]-3-methylpentan-2-amine
CID 66223705
2-[(2,4-dinitrophenyl)methylamino]propan-1-ol
CID 66224134

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide (CID 66221346) is 2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide?
The InChIKey is RPRIWBAUOMXMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-2-13-11(16)7-12-6-8-3-4-9(14(17)18)5-10(8)15(19)20/h3-5,12H,2,6-7H2,1H3,(H,13,16).
What are the key properties of 2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide?
2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide has a molecular weight of 282.26 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dinitrophenyl)methylamino]-N-ethylacetamide is sourced from PubChem (CID 66221346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).