(E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide

C17H16N2O4 — CID 6057263

IUPAC(E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16N2O4/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/h3-12H,2H2,1H3,(H,18,20)/b11-8+
InChIKeyHCNBMZCOWFXACF-DHZHZOJOSA-N
MW312.32 g/mol
LogP3.65
Rot. Bonds6

About (E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide

(E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide (PubChem CID 6057263) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is (E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide
PubChem CID6057263
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name(E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16N2O4/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/h3-12H,2H2,1H3,(H,18,20)/b11-8+
InChIKeyHCNBMZCOWFXACF-DHZHZOJOSA-N
XLogP3.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

Acetamide, N-(4-methoxy-2-nitrophenyl)-
CID 67075
N-(4-methoxy-2-nitrophenyl)benzamide
CID 274249
Butanamide, 2-[2-(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-3-oxo-
CID 95091
4-Benzyloxy-2-nitroaniline
CID 261497
1-(4-methoxy-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2732117
N-(4-Methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 563135
N-{2-(acetylamino)-4-[4-(acetylamino)phenoxy]phenyl}acetamide
CID 830991
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(4-nitrophenyl)acrylamide
CID 2176913
1-Acetamido-4-benzyloxy-2-nitrobenzene
CID 265888
Acetamide, N-(4-ethoxy-2-nitrophenyl)-
CID 70170
4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2842616
N-[3-[3-(3-nitrophenoxy)propoxy]phenyl]acetamide
CID 267834

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide (CID 6057263) is (E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of (E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide?
The InChIKey is HCNBMZCOWFXACF-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H16N2O4/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/h3-12H,2H2,1H3,(H,18,20)/b11-8+.
What are the key properties of (E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide?
(E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide has a molecular weight of 312.32 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethoxy-2-nitrophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6057263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).