N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide

C9H12N2O3 — CID 70276550

IUPACN-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide
SMILESCc1cccc(N(CCO)[N+](=O)[O-])c1
InChIInChI=1S/C9H12N2O3/c1-8-3-2-4-9(7-8)10(5-6-12)11(13)14/h2-4,7,12H,5-6H2,1H3
InChIKeyGDLMHRMNIGZOPU-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.99
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide

N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide (PubChem CID 70276550) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide
PubChem CID70276550
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide
SMILESCc1cccc(N(CCO)[N+](=O)[O-])c1
InChIInChI=1S/C9H12N2O3/c1-8-3-2-4-9(7-8)10(5-6-12)11(13)14/h2-4,7,12H,5-6H2,1H3
InChIKeyGDLMHRMNIGZOPU-UHFFFAOYSA-N
XLogP0.99
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 143917087
N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide
CID 70529196
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
2-[3-methyl-N-(2-methylpropyl)anilino]ethanol
CID 91509745
2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
CID 54440196
N-(2-hydroxyethyl)-N-(3-methylphenyl)benzamide
CID 91297666
nitric acid;1,3-xylene
CID 172865118
dimethyl(phenyl)phosphane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 118588489
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
1-(3-methylphenyl)-1-(3-nitrophenyl)urea
CID 175036473
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide?
The IUPAC name of N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide (CID 70276550) is N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide is Cc1cccc(N(CCO)[N+](=O)[O-])c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide?
The InChIKey is GDLMHRMNIGZOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-8-3-2-4-9(7-8)10(5-6-12)11(13)14/h2-4,7,12H,5-6H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide?
N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide has a molecular weight of 196.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide is sourced from PubChem (CID 70276550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).