N-[2-(4-nitrophenyl)ethyl]pentanamide

C13H18N2O3 — CID 110294427

IUPACN-[2-(4-nitrophenyl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O3/c1-2-3-4-13(16)14-10-9-11-5-7-12(8-6-11)15(17)18/h5-8H,2-4,9-10H2,1H3,(H,14,16)
InChIKeyZGUPIMLAINEVJX-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.44
Rot. Bonds7

About N-[2-(4-nitrophenyl)ethyl]pentanamide

N-[2-(4-nitrophenyl)ethyl]pentanamide (PubChem CID 110294427) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]pentanamide
PubChem CID110294427
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2-(4-nitrophenyl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O3/c1-2-3-4-13(16)14-10-9-11-5-7-12(8-6-11)15(17)18/h5-8H,2-4,9-10H2,1H3,(H,14,16)
InChIKeyZGUPIMLAINEVJX-UHFFFAOYSA-N
XLogP2.44
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[2-(4-nitrophenyl)ethyl]-N-propyloxamide
CID 23279451
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide
CID 110294448
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide
CID 62325144
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide
CID 119320506
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide;hydrochloride
CID 119320505
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
3-(aminomethyl)-N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 81087222

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]pentanamide?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]pentanamide (CID 110294427) is N-[2-(4-nitrophenyl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]pentanamide?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]pentanamide is CCCCC(=O)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]pentanamide?
The InChIKey is ZGUPIMLAINEVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-4-13(16)14-10-9-11-5-7-12(8-6-11)15(17)18/h5-8H,2-4,9-10H2,1H3,(H,14,16).
What are the key properties of N-[2-(4-nitrophenyl)ethyl]pentanamide?
N-[2-(4-nitrophenyl)ethyl]pentanamide has a molecular weight of 250.30 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]pentanamide is sourced from PubChem (CID 110294427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).