(2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide

C13H14N2O4 — CID 134907476

IUPAC(2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide
SMILESCON(C)C(=O)/C=C/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H14N2O4/c1-14(19-2)13(16)6-4-3-5-11-7-9-12(10-8-11)15(17)18/h3-10H,1-2H3/b5-3+,6-4+
InChIKeyBBTPVLYVXLZUCV-GGWOSOGESA-N
MW262.27 g/mol
LogP2.18
Rot. Bonds5

About (2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide

(2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide (PubChem CID 134907476) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is (2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide
PubChem CID134907476
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name(2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide
SMILESCON(C)C(=O)/C=C/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H14N2O4/c1-14(19-2)13(16)6-4-3-5-11-7-9-12(10-8-11)15(17)18/h3-10H,1-2H3/b5-3+,6-4+
InChIKeyBBTPVLYVXLZUCV-GGWOSOGESA-N
XLogP2.18
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
(2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal
CID 92856070
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
CID 12555318
ethane;(E)-3-(4-nitrophenyl)prop-2-enoyl chloride
CID 145020491
4-hydroxy-6-methyl-3-[(2E,4E,6E)-7-(4-nitrophenyl)hepta-2,4,6-trienoyl]pyran-2-one
CID 136792263
1-nitro-4-[(1E,3E,5E)-6-(4-propoxyphenyl)hexa-1,3,5-trienyl]benzene
CID 139039273
(E)-1-(2-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 19566928
(1E,4E)-1-(4-methylphenyl)-5-(4-nitrophenyl)penta-1,4-dien-3-one
CID 13188494
(E)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 43595987

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide (CID 134907476) is (2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide is CON(C)C(=O)/C=C/C=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide?
The InChIKey is BBTPVLYVXLZUCV-GGWOSOGESA-N. The full InChI is InChI=1S/C13H14N2O4/c1-14(19-2)13(16)6-4-3-5-11-7-9-12(10-8-11)15(17)18/h3-10H,1-2H3/b5-3+,6-4+.
What are the key properties of (2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide?
(2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide has a molecular weight of 262.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide is sourced from PubChem (CID 134907476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).