4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide

C12H16N2O5 — CID 79204847

IUPAC4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
SMILESCOc1ccc(NC(=O)CCC(C)O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O5/c1-8(15)3-6-12(16)13-10-5-4-9(19-2)7-11(10)14(17)18/h4-5,7-8,15H,3,6H2,1-2H3,(H,13,16)
InChIKeyWIZZBNOBUDHCAY-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.70
Rot. Bonds6

About 4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide

4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide (PubChem CID 79204847) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
PubChem CID79204847
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
SMILESCOc1ccc(NC(=O)CCC(C)O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O5/c1-8(15)3-6-12(16)13-10-5-4-9(19-2)7-11(10)14(17)18/h4-5,7-8,15H,3,6H2,1-2H3,(H,13,16)
InChIKeyWIZZBNOBUDHCAY-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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'}

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Related Compounds

3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
N-(4-methoxy-2-nitrophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108807672
N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 16648625
N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975810
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 115569447
methyl 3-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785649

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide?
The IUPAC name of 4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide (CID 79204847) is 4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide is COc1ccc(NC(=O)CCC(C)O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide?
The InChIKey is WIZZBNOBUDHCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-8(15)3-6-12(16)13-10-5-4-9(19-2)7-11(10)14(17)18/h4-5,7-8,15H,3,6H2,1-2H3,(H,13,16).
What are the key properties of 4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide?
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide has a molecular weight of 268.27 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide is sourced from PubChem (CID 79204847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).