N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide

C17H22N2O5 — CID 3648665

IUPACN-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide
SMILESCCCCCC1CC(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1
InChIInChI=1S/C17H22N2O5/c1-2-3-4-5-15-10-12(17(21)24-15)11-16(20)18-13-6-8-14(9-7-13)19(22)23/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,20)
InChIKeyHXOWVUPIWNLELW-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.44
Rot. Bonds8

About N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide

N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide (PubChem CID 3648665) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide
PubChem CID3648665
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide
SMILESCCCCCC1CC(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1
InChIInChI=1S/C17H22N2O5/c1-2-3-4-5-15-10-12(17(21)24-15)11-16(20)18-13-6-8-14(9-7-13)19(22)23/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,20)
InChIKeyHXOWVUPIWNLELW-UHFFFAOYSA-N
XLogP3.44
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(3S,5R)-5-hexyl-2-oxooxolan-3-yl]-N-(4-nitrophenyl)acetamide
CID 7102132
3-[(3S,5S)-5-hexyl-2-oxooxolan-3-yl]-N-(4-nitrophenyl)propanamide
CID 7374254
N-[(4-nitrophenyl)carbamothioyl]-2-[(3R,5R)-2-oxo-5-(propan-2-yloxymethyl)oxolan-3-yl]acetamide
CID 7300051
N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-(4-nitrophenyl)tridecanamide
CID 86103066
N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
CID 53394071
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
CID 154663728
2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide
CID 55381834
N-(4-butylphenyl)-2-(4-nitroanilino)acetamide
CID 9082113
2-(butylamino)-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide;hydrochloride
CID 139650784

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide?
The IUPAC name of N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide (CID 3648665) is N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide is CCCCCC1CC(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1.
What is the InChIKey of N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide?
The InChIKey is HXOWVUPIWNLELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-2-3-4-5-15-10-12(17(21)24-15)11-16(20)18-13-6-8-14(9-7-13)19(22)23/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,20).
What are the key properties of N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide?
N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide has a molecular weight of 334.37 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-(2-oxo-5-pentyloxolan-3-yl)acetamide is sourced from PubChem (CID 3648665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).