N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide

C10H12N2O4 — CID 64592033

IUPACN-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-6(2)10(14)11-8-4-3-7(13)5-9(8)12(15)16/h3-6,13H,1-2H3,(H,11,14)
InChIKeyGOAVICXBVWJPFT-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.89
Rot. Bonds3

About N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide

N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide (PubChem CID 64592033) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide
PubChem CID64592033
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-6(2)10(14)11-8-4-3-7(13)5-9(8)12(15)16/h3-6,13H,1-2H3,(H,11,14)
InChIKeyGOAVICXBVWJPFT-UHFFFAOYSA-N
XLogP1.89
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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-bromo-N-(4-hydroxy-2-nitrophenyl)-3-methylbutanamide
CID 43695620
(2S,3S)-2-amino-N-(4-hydroxy-2-nitrophenyl)-3-methylpentanamide
CID 61155628
3-amino-4-(4-hydroxy-2-nitroanilino)-4-oxobutanoic acid
CID 64896844
4-(methylamino)-3-nitrophenol
CID 22832045
2-amino-N-(4-hydroxy-2-nitrophenyl)-4-methylsulfonylbutanamide
CID 43695982
(2R)-2-amino-N-(4-hydroxy-2-nitrophenyl)-4-methylsulfanylbutanamide
CID 104907057
N-(2-amino-4-hydroxyphenyl)-2-methylpropanamide
CID 107697096
2-(2-methylpropanoylamino)-5-nitrobenzoic acid
CID 16770490
2-amino-N-(4-bromo-2-nitrophenyl)propanamide
CID 43711578
(2S)-2-methyl-N-[4-[[(2R)-2-methylbutanoyl]amino]-3-nitrophenyl]butanamide
CID 7233020
4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide
CID 62832870

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide?
The IUPAC name of N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide (CID 64592033) is N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide?
The InChIKey is GOAVICXBVWJPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6(2)10(14)11-8-4-3-7(13)5-9(8)12(15)16/h3-6,13H,1-2H3,(H,11,14).
What are the key properties of N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide?
N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide has a molecular weight of 224.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 64592033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).