2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide

C18H19N3O4 — CID 14180969

IUPAC2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)20-16-6-2-15(3-7-16)12-18(23)19-11-10-14-4-8-17(9-5-14)21(24)25/h2-9H,10-12H2,1H3,(H,19,23)(H,20,22)
InChIKeySOMUDDDAJMIFHT-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.45
Rot. Bonds7

About 2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide

2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide (PubChem CID 14180969) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
PubChem CID14180969
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)20-16-6-2-15(3-7-16)12-18(23)19-11-10-14-4-8-17(9-5-14)21(24)25/h2-9H,10-12H2,1H3,(H,19,23)(H,20,22)
InChIKeySOMUDDDAJMIFHT-UHFFFAOYSA-N
XLogP2.45
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
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

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-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
4-acetamido-N-[(4-nitrophenyl)methyl]benzamide
CID 60535872
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 90558308
[4-[2-[2-(4-nitrophenyl)ethylamino]-2-oxoethyl]sulfanylphenyl]carbamic acid
CID 69386423
N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 110294427
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide (CID 14180969) is 2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide is CC(=O)Nc1ccc(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The InChIKey is SOMUDDDAJMIFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13(22)20-16-6-2-15(3-7-16)12-18(23)19-11-10-14-4-8-17(9-5-14)21(24)25/h2-9H,10-12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide?
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 14180969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).