N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide

C10H14N2O5 — CID 70529196

IUPACN-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide
SMILESO=[N+]([O-])N(CCO)c1cccc(OCCO)c1
InChIInChI=1S/C10H14N2O5/c13-5-4-11(12(15)16)9-2-1-3-10(8-9)17-7-6-14/h1-3,8,13-14H,4-7H2
InChIKeyYJXUKXMBIYFCLQ-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.05
Rot. Bonds7

About N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide

N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide (PubChem CID 70529196) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide
PubChem CID70529196
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC NameN-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide
SMILESO=[N+]([O-])N(CCO)c1cccc(OCCO)c1
InChIInChI=1S/C10H14N2O5/c13-5-4-11(12(15)16)9-2-1-3-10(8-9)17-7-6-14/h1-3,8,13-14H,4-7H2
InChIKeyYJXUKXMBIYFCLQ-UHFFFAOYSA-N
XLogP0.05
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-N-(3-methylphenyl)nitramide
CID 70276550
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
2-(3-methoxy-4-nitrophenoxy)ethanol
CID 66759614
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
CID 170866152
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide
CID 60653323
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942
3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
CID 82224178
methyl 2-[3-(2-hydroxyethoxy)phenyl]acetate
CID 134821202
formic acid;2-phenoxyethanol
CID 71438669
1-[(Z)-2-nitroprop-1-enyl]-3-propoxybenzene
CID 21160899

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide?
The IUPAC name of N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide (CID 70529196) is N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide is O=[N+]([O-])N(CCO)c1cccc(OCCO)c1.
What is the InChIKey of N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide?
The InChIKey is YJXUKXMBIYFCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-5-4-11(12(15)16)9-2-1-3-10(8-9)17-7-6-14/h1-3,8,13-14H,4-7H2.
What are the key properties of N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide?
N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide has a molecular weight of 242.23 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)phenyl]-N-(2-hydroxyethyl)nitramide is sourced from PubChem (CID 70529196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).