2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane

C14H22N2O7 — CID 158767185

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane
SMILESC.NC(=O)c1cccc([N+](=O)[O-])c1OCCOCCOCCO
InChIInChI=1S/C13H18N2O7.CH4/c14-13(17)10-2-1-3-11(15(18)19)12(10)22-9-8-21-7-6-20-5-4-16;/h1-3,16H,4-9H2,(H2,14,17);1H4
InChIKeyIPKDSGRGHNXRCY-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.73
Rot. Bonds11

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane (PubChem CID 158767185) has the molecular formula C14H22N2O7 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane
PubChem CID158767185
Molecular FormulaC14H22N2O7
Molecular Weight330.34 g/mol
Exact Mass330.14
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane
SMILESC.NC(=O)c1cccc([N+](=O)[O-])c1OCCOCCOCCO
InChIInChI=1S/C13H18N2O7.CH4/c14-13(17)10-2-1-3-11(15(18)19)12(10)22-9-8-21-7-6-20-5-4-16;/h1-3,16H,4-9H2,(H2,14,17);1H4
InChIKeyIPKDSGRGHNXRCY-UHFFFAOYSA-N
XLogP0.73
TPSA134.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-nitro-2-phenylmethoxybenzamide
CID 18551383
2-[2-(2-methylpropoxy)ethoxy]-3-nitrobenzoic acid
CID 106447128
2-(4-chlorophenoxy)-3-nitrobenzamide
CID 141017778
methyl 2-(2-methoxyethoxymethoxy)-3-nitrobenzoate
CID 58222805
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
2-(3-methylbutoxy)-3-nitrobenzoic acid
CID 113355002
2-(2-ethylsulfanylethoxy)-3-nitrobenzoic acid
CID 113473241
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906
5-(2-bromo-6-nitrophenoxy)pentan-1-ol
CID 81499592
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 14691830
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane (CID 158767185) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane is C.NC(=O)c1cccc([N+](=O)[O-])c1OCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane?
The InChIKey is IPKDSGRGHNXRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O7.CH4/c14-13(17)10-2-1-3-11(15(18)19)12(10)22-9-8-21-7-6-20-5-4-16;/h1-3,16H,4-9H2,(H2,14,17);1H4.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane has a molecular weight of 330.34 g/mol, XLogP of 0.73, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-nitrobenzamide;methane is sourced from PubChem (CID 158767185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).