N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide

C11H13N3O5 — CID 70210043

IUPACN-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C11H13N3O5/c1-6(2)10(16)13-11(17)12-8-4-3-7(14(18)19)5-9(8)15/h3-6,15H,1-2H3,(H2,12,13,16,17)
InChIKeyZXSJECHJOYPDGE-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.60
Rot. Bonds3

About N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide

N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide (PubChem CID 70210043) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
PubChem CID70210043
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC NameN-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C11H13N3O5/c1-6(2)10(16)13-11(17)12-8-4-3-7(14(18)19)5-9(8)15/h3-6,15H,1-2H3,(H2,12,13,16,17)
InChIKeyZXSJECHJOYPDGE-UHFFFAOYSA-N
XLogP1.60
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397
(2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide
CID 107744218
(2S)-2-bromo-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 52904928
(2S,3S)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3-methylpentanamide
CID 107744120
1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 7285095
(E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide
CID 107743856
2-(2-methylpropanoylamino)-5-nitrobenzoic acid
CID 16770490
N-(2-hydroxy-4-nitrophenyl)but-2-ynamide
CID 107989033

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide?
The IUPAC name of N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide (CID 70210043) is N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide?
The canonical SMILES for N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide is CC(C)C(=O)NC(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide?
The InChIKey is ZXSJECHJOYPDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-6(2)10(16)13-11(17)12-8-4-3-7(14(18)19)5-9(8)15/h3-6,15H,1-2H3,(H2,12,13,16,17).
What are the key properties of N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide?
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide has a molecular weight of 267.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide is sourced from PubChem (CID 70210043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).