2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide

C12H16N2O5 — CID 103800130

IUPAC2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide
SMILESCOCC(C)CNC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C12H16N2O5/c1-8(7-19-2)6-13-12(16)9-4-3-5-10(11(9)15)14(17)18/h3-5,8,15H,6-7H2,1-2H3,(H,13,16)
InChIKeyXBYUDYONPZDLJH-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.31
Rot. Bonds6

About 2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide

2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide (PubChem CID 103800130) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide
PubChem CID103800130
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide
SMILESCOCC(C)CNC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C12H16N2O5/c1-8(7-19-2)6-13-12(16)9-4-3-5-10(11(9)15)14(17)18/h3-5,8,15H,6-7H2,1-2H3,(H,13,16)
InChIKeyXBYUDYONPZDLJH-UHFFFAOYSA-N
XLogP1.31
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
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'}

Analyze 2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide 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

2-hydroxy-N-(2-methylsulfanylpropyl)-3-nitrobenzamide
CID 113322559
5-amino-N-(3-methoxy-2-methylpropyl)-2-nitrobenzamide
CID 62161624
N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide
CID 102560043
3-methyl-4-[(2-nitrobenzoyl)amino]butanoic acid
CID 81063337
2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
CID 103746299
2-chloro-N-(3-methoxy-2-methylpropyl)-4-nitrobenzamide
CID 47080227
N-(2-methyl-4-oxobutyl)-2-nitrobenzamide
CID 175276651
2-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 679490
CID 58418423
CID 58418423
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
CID 102741844
N-(2-hydroxy-4-methylpentyl)-2-methoxy-3-nitrobenzamide
CID 107155337

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide (CID 103800130) is 2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide is COCC(C)CNC(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide?
The InChIKey is XBYUDYONPZDLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-8(7-19-2)6-13-12(16)9-4-3-5-10(11(9)15)14(17)18/h3-5,8,15H,6-7H2,1-2H3,(H,13,16).
What are the key properties of 2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide?
2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide has a molecular weight of 268.27 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide is sourced from PubChem (CID 103800130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).