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

C18H20N2O4 — CID 110294448

IUPACN-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O4/c21-18(7-4-14-24-17-5-2-1-3-6-17)19-13-12-15-8-10-16(11-9-15)20(22)23/h1-3,5-6,8-11H,4,7,12-14H2,(H,19,21)
InChIKeyPHPICAIVLWZKLB-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.11
Rot. Bonds9

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

N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide (PubChem CID 110294448) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide
PubChem CID110294448
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O4/c21-18(7-4-14-24-17-5-2-1-3-6-17)19-13-12-15-8-10-16(11-9-15)20(22)23/h1-3,5-6,8-11H,4,7,12-14H2,(H,19,21)
InChIKeyPHPICAIVLWZKLB-UHFFFAOYSA-N
XLogP3.11
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
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-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 110294427
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715
N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110314008
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide
CID 119320506

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide (CID 110294448) is N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide?
The InChIKey is PHPICAIVLWZKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-18(7-4-14-24-17-5-2-1-3-6-17)19-13-12-15-8-10-16(11-9-15)20(22)23/h1-3,5-6,8-11H,4,7,12-14H2,(H,19,21).
What are the key properties of N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide?
N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide has a molecular weight of 328.37 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 110294448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).