2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide

C12H14N2O4 — CID 86798485

IUPAC2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide
SMILESC=C(C)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C12H14N2O4/c1-8(2)7-13(3)12(16)10-5-4-9(14(17)18)6-11(10)15/h4-6,15H,1,7H2,2-3H3
InChIKeyHMESLBSATPCBCM-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.95
Rot. Bonds4

About 2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide

2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide (PubChem CID 86798485) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide
PubChem CID86798485
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide
SMILESC=C(C)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C12H14N2O4/c1-8(2)7-13(3)12(16)10-5-4-9(14(17)18)6-11(10)15/h4-6,15H,1,7H2,2-3H3
InChIKeyHMESLBSATPCBCM-UHFFFAOYSA-N
XLogP1.95
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 86797945
2-hydroxy-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968436
ethane;2-hydroxy-4-nitrobenzoic acid
CID 143615987
2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 106502176
2-chloro-N-methyl-N-(2-methylprop-2-enyl)-4-nitroaniline
CID 133439166
4-bromo-N-methyl-N-(2-methylprop-2-enyl)-3-nitrobenzamide
CID 115968403
N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 75504350
2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
CID 43243488
methyl 2-[(2-methoxy-5-nitrobenzoyl)-methylamino]acetate
CID 43407682
2-chloro-N-methyl-N-(2-methylsulfanylethyl)-4-nitrobenzamide
CID 112697981
methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate
CID 43377543
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide (CID 86798485) is 2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide is C=C(C)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide?
The InChIKey is HMESLBSATPCBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8(2)7-13(3)12(16)10-5-4-9(14(17)18)6-11(10)15/h4-6,15H,1,7H2,2-3H3.
What are the key properties of 2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide?
2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide has a molecular weight of 250.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide is sourced from PubChem (CID 86798485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).