5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide

C11H15N3O4 — CID 107744274

IUPAC5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
SMILESNCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C11H15N3O4/c12-6-2-1-3-11(16)13-9-5-4-8(14(17)18)7-10(9)15/h4-5,7,15H,1-3,6,12H2,(H,13,16)
InChIKeyZWMSJVIXXNOUEQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.37
Rot. Bonds6

About 5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide

5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide (PubChem CID 107744274) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
PubChem CID107744274
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
SMILESNCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C11H15N3O4/c12-6-2-1-3-11(16)13-9-5-4-8(14(17)18)7-10(9)15/h4-5,7,15H,1-3,6,12H2,(H,13,16)
InChIKeyZWMSJVIXXNOUEQ-UHFFFAOYSA-N
XLogP1.37
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
N-(2-hydroxy-4-nitrophenyl)-2-(4-hydroxyphenyl)acetamide
CID 107745071
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
N-(2-amino-4-nitrophenyl)undec-10-enamide
CID 42604662
N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide
CID 108807000
N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
CID 79200065
5-amino-N-(2-hydroxy-4-methoxyphenyl)pentanamide
CID 102695132
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide?
The IUPAC name of 5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide (CID 107744274) is 5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide is NCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide?
The InChIKey is ZWMSJVIXXNOUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c12-6-2-1-3-11(16)13-9-5-4-8(14(17)18)7-10(9)15/h4-5,7,15H,1-3,6,12H2,(H,13,16).
What are the key properties of 5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide?
5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide has a molecular weight of 253.26 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide is sourced from PubChem (CID 107744274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).