2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide

C11H13N3O4 — CID 62050793

IUPAC2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide
SMILESCN(CC(N)=O)CC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O4/c1-13(7-11(12)16)6-10(15)8-3-2-4-9(5-8)14(17)18/h2-5H,6-7H2,1H3,(H2,12,16)
InChIKeyQTGAMOPVTIBBQU-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.19
Rot. Bonds6

About 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide

2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide (PubChem CID 62050793) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide
PubChem CID62050793
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide
SMILESCN(CC(N)=O)CC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O4/c1-13(7-11(12)16)6-10(15)8-3-2-4-9(5-8)14(17)18/h2-5H,6-7H2,1H3,(H2,12,16)
InChIKeyQTGAMOPVTIBBQU-UHFFFAOYSA-N
XLogP0.19
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(dimethylamino)-1-(3-nitrophenyl)ethanone
CID 43219662
2-[3-(dimethylamino)propyl-methylamino]-1-(3-nitrophenyl)ethanone
CID 63699021
2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62035212
N,N-bis(2-amino-2-oxoethyl)-3-nitrobenzamide
CID 20505193
2-methyl-3-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]propanenitrile
CID 62051688
2-[methyl(2-methylbutan-2-yl)amino]-1-(3-nitrophenyl)ethanone
CID 63965089
2-[methyl(oxan-4-ylmethyl)amino]-1-(3-nitrophenyl)ethanone
CID 63711390
2-[3-[2-(dimethylamino)acetyl]pyridin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide
CID 170895828
2-chloro-1-(3-nitrophenyl)ethanone
CID 7437
2-[butyl(ethyl)amino]-1-(3-nitrophenyl)ethanone
CID 43219886
azane;2-bromo-1-(3-nitrophenyl)ethanone
CID 162313108
sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone
CID 174839141

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide (CID 62050793) is 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide is CN(CC(N)=O)CC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide?
The InChIKey is QTGAMOPVTIBBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-13(7-11(12)16)6-10(15)8-3-2-4-9(5-8)14(17)18/h2-5H,6-7H2,1H3,(H2,12,16).
What are the key properties of 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide?
2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide has a molecular weight of 251.24 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 62050793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).