N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide

C19H20N2O4 — CID 108796232

IUPACN-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide
SMILESCCc1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-2-14-11-12-16(13-17(14)21(24)25)20-19(23)10-6-9-18(22)15-7-4-3-5-8-15/h3-5,7-8,11-13H,2,6,9-10H2,1H3,(H,20,23)
InChIKeyCMNPFRKGMNQJST-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.15
Rot. Bonds8

About N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide

N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide (PubChem CID 108796232) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide
PubChem CID108796232
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide
SMILESCCc1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-2-14-11-12-16(13-17(14)21(24)25)20-19(23)10-6-9-18(22)15-7-4-3-5-8-15/h3-5,7-8,11-13H,2,6,9-10H2,1H3,(H,20,23)
InChIKeyCMNPFRKGMNQJST-UHFFFAOYSA-N
XLogP4.15
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
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

5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 34655216
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]octadecanamide
CID 14556722
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131
4-(4-ethyl-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992988
4-chloro-1-(4-ethyl-3-nitrophenyl)butan-1-one
CID 94271537
4-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 60739029

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide (CID 108796232) is N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide is CCc1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide?
The InChIKey is CMNPFRKGMNQJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-14-11-12-16(13-17(14)21(24)25)20-19(23)10-6-9-18(22)15-7-4-3-5-8-15/h3-5,7-8,11-13H,2,6,9-10H2,1H3,(H,20,23).
What are the key properties of N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide?
N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide has a molecular weight of 340.38 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 108796232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).