N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide

C13H18N2O4 — CID 79199585

IUPACN-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
SMILESCCc1ccc(NC(=O)CCCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-2-10-6-7-11(9-12(10)15(18)19)14-13(17)5-3-4-8-16/h6-7,9,16H,2-5,8H2,1H3,(H,14,17)
InChIKeyKBAMESPTOXZIPK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.26
Rot. Bonds7

About N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide

N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide (PubChem CID 79199585) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
PubChem CID79199585
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
SMILESCCc1ccc(NC(=O)CCCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-2-10-6-7-11(9-12(10)15(18)19)14-13(17)5-3-4-8-16/h6-7,9,16H,2-5,8H2,1H3,(H,14,17)
InChIKeyKBAMESPTOXZIPK-UHFFFAOYSA-N
XLogP2.26
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide
CID 108796232
N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide
CID 82865508
N-[4-nitro-3-(octanoylamino)phenyl]octanamide
CID 3518241
N-(4-amino-3-nitrophenyl)hexadecanamide
CID 71443748
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide
CID 79853814
N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]octadecanamide
CID 14556722

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide (CID 79199585) is N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide is CCc1ccc(NC(=O)CCCCO)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide?
The InChIKey is KBAMESPTOXZIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-10-6-7-11(9-12(10)15(18)19)14-13(17)5-3-4-8-16/h6-7,9,16H,2-5,8H2,1H3,(H,14,17).
What are the key properties of N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide?
N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide has a molecular weight of 266.30 g/mol, XLogP of 2.26, 7 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)-5-hydroxypentanamide is sourced from PubChem (CID 79199585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).