N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide

C17H18N2O4 — CID 2852196

IUPACN-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide
SMILESCCOc1ccc(NC(=O)CCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O4/c1-2-23-14-9-10-15(16(12-14)19(21)22)18-17(20)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,18,20)
InChIKeySUSZUEBFANLQGO-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.56
Rot. Bonds7

About N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide

N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide (PubChem CID 2852196) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide
PubChem CID2852196
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide
SMILESCCOc1ccc(NC(=O)CCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O4/c1-2-23-14-9-10-15(16(12-14)19(21)22)18-17(20)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,18,20)
InChIKeySUSZUEBFANLQGO-UHFFFAOYSA-N
XLogP3.56
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide (CID 2852196) is N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide is CCOc1ccc(NC(=O)CCc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide?
The InChIKey is SUSZUEBFANLQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-23-14-9-10-15(16(12-14)19(21)22)18-17(20)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,18,20).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide?
N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide has a molecular weight of 314.34 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-3-phenylpropanamide is sourced from PubChem (CID 2852196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).