(E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide

C18H18N2O5 — CID 5292219

IUPAC(E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1ccccc1OCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O5/c1-24-16-4-2-3-5-17(16)25-13-12-19-18(21)11-8-14-6-9-15(10-7-14)20(22)23/h2-11H,12-13H2,1H3,(H,19,21)/b11-8+
InChIKeyNLLDMLGXSOHBPG-DHZHZOJOSA-N
MW342.35 g/mol
LogP2.81
Rot. Bonds8

About (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide

(E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 5292219) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID5292219
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1ccccc1OCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O5/c1-24-16-4-2-3-5-17(16)25-13-12-19-18(21)11-8-14-6-9-15(10-7-14)20(22)23/h2-11H,12-13H2,1H3,(H,19,21)/b11-8+
InChIKeyNLLDMLGXSOHBPG-DHZHZOJOSA-N
XLogP2.81
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N-[2-(2-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580266
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-nitrophenyl)methoxy]phenoxy]ethanamine
CID 11554541
2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 11056631
2-(2-Ethoxy-phenoxymethyl)-4-(4-nitro-benzyl)-morpholine
CID 11176211
(2E)-N-[2-(4-fluorophenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 5292175
(2E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 889985
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 977997
2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 2792230
N-[2-(3,4-Dimethyl-phenoxy)-ethyl]-3-(4-nitro-phenyl)-acrylamide
CID 5762115
N-[2-(4-nitrophenoxy)ethyl]-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 11111531
N-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-oxopropyl]-4-nitrobenzamide
CID 16304544
N-(2-methoxybenzyl)-2-(4-nitrophenoxy)acetamide
CID 977884

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide (CID 5292219) is (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide is COc1ccccc1OCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is NLLDMLGXSOHBPG-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-16-4-2-3-5-17(16)25-13-12-19-18(21)11-8-14-6-9-15(10-7-14)20(22)23/h2-11H,12-13H2,1H3,(H,19,21)/b11-8+.
What are the key properties of (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 342.35 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 5292219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).