N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide

C10H10N2O4 — CID 146170231

IUPACN,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N2O4/c1-11(2)10(14)9(13)7-4-3-5-8(6-7)12(15)16/h3-6H,1-2H3
InChIKeyWBPNFNPMQKPTQY-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.87
Rot. Bonds3

About N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide

N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide (PubChem CID 146170231) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide
PubChem CID146170231
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC NameN,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N2O4/c1-11(2)10(14)9(13)7-4-3-5-8(6-7)12(15)16/h3-6H,1-2H3
InChIKeyWBPNFNPMQKPTQY-UHFFFAOYSA-N
XLogP0.87
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-nitrobenzoyl)prop-2-enyl N,N-dimethylcarbamodithioate
CID 138373854
2-diazo-1-(3-nitrophenyl)propan-1-one
CID 174469217
2-(dimethylamino)-1-(3-nitrophenyl)ethanone
CID 43219662
3-(dimethylamino)-3-(3-nitrophenyl)prop-2-enal
CID 173186321
3-nitrobenzoyl iodide
CID 87511250
N-tert-butyl-3-nitrobenzohydrazide
CID 134113421
cycloheptane;1-(3-nitrophenyl)ethanone
CID 142103484
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51162924
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597
ethane;methyl 3-nitrobenzoate
CID 166455377
N-[3-(dimethylamino)-3-oxopropyl]-3-nitrobenzamide
CID 134025655
ethyl 3-(dimethylamino)-2-(3-nitrobenzoyl)prop-2-enoate
CID 85079212

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide?
The IUPAC name of N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide (CID 146170231) is N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide.
What is the SMILES notation for N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide?
The canonical SMILES for N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide is CN(C)C(=O)C(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide?
The InChIKey is WBPNFNPMQKPTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-11(2)10(14)9(13)7-4-3-5-8(6-7)12(15)16/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide?
N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide has a molecular weight of 222.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-nitrophenyl)-2-oxoacetamide is sourced from PubChem (CID 146170231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).