(2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide

C14H16N2O4 — CID 92857298

IUPAC(2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide
SMILESCCOC(/C=C\c1ccc([N+](=O)[O-])cc1)=C\C(=O)NC
InChIInChI=1S/C14H16N2O4/c1-3-20-13(10-14(17)15-2)9-6-11-4-7-12(8-5-11)16(18)19/h4-10H,3H2,1-2H3,(H,15,17)/b9-6-,13-10-
InChIKeyCMVLODYSYMQOID-APPVOSCISA-N
MW276.29 g/mol
LogP2.27
Rot. Bonds6

About (2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide

(2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide (PubChem CID 92857298) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide
PubChem CID92857298
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide
SMILESCCOC(/C=C\c1ccc([N+](=O)[O-])cc1)=C\C(=O)NC
InChIInChI=1S/C14H16N2O4/c1-3-20-13(10-14(17)15-2)9-6-11-4-7-12(8-5-11)16(18)19/h4-10H,3H2,1-2H3,(H,15,17)/b9-6-,13-10-
InChIKeyCMVLODYSYMQOID-APPVOSCISA-N
XLogP2.27
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl (2E,4E)-3-ethoxy-5-(4-nitrophenyl)penta-2,4-dienoate
CID 11738206
(E)-N-(methylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17187248
O-ethyl (E)-3-(4-nitrophenyl)prop-2-enethioate
CID 6450716
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 6259038
ethyl 4-[2-(4-nitrophenyl)ethenyl]benzoate
CID 619973
ethyl (E)-3-(4-nitrophenyl)prop-2-enimidate
CID 13237618
(E)-N-(1-aminobutan-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 65193675
(E)-N-(3-aminobutyl)-3-(4-nitrophenyl)prop-2-enamide
CID 55168553
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 6061004
ethyl N-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carbonyl]carbamate
CID 7167151
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314781

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide?
The IUPAC name of (2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide (CID 92857298) is (2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide is CCOC(/C=C\c1ccc([N+](=O)[O-])cc1)=C\C(=O)NC.
What is the InChIKey of (2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide?
The InChIKey is CMVLODYSYMQOID-APPVOSCISA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-20-13(10-14(17)15-2)9-6-11-4-7-12(8-5-11)16(18)19/h4-10H,3H2,1-2H3,(H,15,17)/b9-6-,13-10-.
What are the key properties of (2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide?
(2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide has a molecular weight of 276.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-ethoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide is sourced from PubChem (CID 92857298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).