N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide

C12H14N2O5 — CID 59360027

IUPACN-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide
SMILESCNC(=O)c1ccc([N+](=O)[O-])c(OC2CCOC2)c1
InChIInChI=1S/C12H14N2O5/c1-13-12(15)8-2-3-10(14(16)17)11(6-8)19-9-4-5-18-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,15)
InChIKeyLFBDMZLKYZEHDW-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.12
Rot. Bonds4

About N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide

N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide (PubChem CID 59360027) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide
PubChem CID59360027
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC NameN-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide
SMILESCNC(=O)c1ccc([N+](=O)[O-])c(OC2CCOC2)c1
InChIInChI=1S/C12H14N2O5/c1-13-12(15)8-2-3-10(14(16)17)11(6-8)19-9-4-5-18-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,15)
InChIKeyLFBDMZLKYZEHDW-UHFFFAOYSA-N
XLogP1.12
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.12
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

4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide
CID 55218798
methyl 4-nitro-3-(oxan-4-yloxy)benzoate
CID 23204736
tert-butyl 3-[5-(methylcarbamoyl)-2-nitrophenoxy]azetidine-1-carboxylate
CID 178092530
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-[[4-nitro-3-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63557345
3-(5-ethenyl-2-nitrophenoxy)oxolane
CID 171384903
4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide
CID 82999612
N-methyl-4-nitro-3-(oxan-4-ylmethylamino)benzamide
CID 82993045
1-[5-nitro-2-(oxolan-3-yloxy)phenyl]ethanone
CID 63556464
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
3-(azetidin-3-yloxy)-N-ethyl-4-nitrobenzamide
CID 82988752
2-cyano-3-[4-nitro-3-(oxolan-3-yloxy)anilino]prop-2-enoic acid
CID 89496284

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide?
The IUPAC name of N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide (CID 59360027) is N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide?
The canonical SMILES for N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide is CNC(=O)c1ccc([N+](=O)[O-])c(OC2CCOC2)c1.
What is the InChIKey of N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide?
The InChIKey is LFBDMZLKYZEHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-13-12(15)8-2-3-10(14(16)17)11(6-8)19-9-4-5-18-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,15).
What are the key properties of N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide?
N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide has a molecular weight of 266.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 59360027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).