N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide

C12H16N2O4 — CID 79204865

IUPACN-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
SMILESCCc1ccc(NC(=O)CCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O4/c1-2-9-5-6-10(8-11(9)14(17)18)13-12(16)4-3-7-15/h5-6,8,15H,2-4,7H2,1H3,(H,13,16)
InChIKeyKZZGJYDYWRASJF-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.87
Rot. Bonds6

About N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide

N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide (PubChem CID 79204865) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
PubChem CID79204865
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
SMILESCCc1ccc(NC(=O)CCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O4/c1-2-9-5-6-10(8-11(9)14(17)18)13-12(16)4-3-7-15/h5-6,8,15H,2-4,7H2,1H3,(H,13,16)
InChIKeyKZZGJYDYWRASJF-UHFFFAOYSA-N
XLogP1.87
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780
N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide
CID 108796232
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide
CID 82865508
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide
CID 79853814
N-(4-amino-3-nitrophenyl)hexadecanamide
CID 71443748
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide (CID 79204865) is N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide is CCc1ccc(NC(=O)CCCO)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide?
The InChIKey is KZZGJYDYWRASJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-9-5-6-10(8-11(9)14(17)18)13-12(16)4-3-7-15/h5-6,8,15H,2-4,7H2,1H3,(H,13,16).
What are the key properties of N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide?
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide has a molecular weight of 252.27 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide is sourced from PubChem (CID 79204865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).