(2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide

C26H34N4O4 — CID 59424253

IUPAC(2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide
SMILESCC(=O)/C(C(=O)Nc1ccc(NC(=O)/C(C(C)=O)=C(C)/C=C/N(C)C)cc1)=C(C)/C=C/N(C)C
InChIInChI=1S/C26H34N4O4/c1-17(13-15-29(5)6)23(19(3)31)25(33)27-21-9-11-22(12-10-21)28-26(34)24(20(4)32)18(2)14-16-30(7)8/h9-16H,1-8H3,(H,27,33)(H,28,34)/b15-13+,16-14+,23-17-,24-18+
InChIKeyKTWXLZUJSJAGDE-CMFCZBAZSA-N
MW466.58 g/mol
LogP3.53
Rot. Bonds10

About (2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide

(2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide (PubChem CID 59424253) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is (2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide
PubChem CID59424253
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name(2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide
SMILESCC(=O)/C(C(=O)Nc1ccc(NC(=O)/C(C(C)=O)=C(C)/C=C/N(C)C)cc1)=C(C)/C=C/N(C)C
InChIInChI=1S/C26H34N4O4/c1-17(13-15-29(5)6)23(19(3)31)25(33)27-21-9-11-22(12-10-21)28-26(34)24(20(4)32)18(2)14-16-30(7)8/h9-16H,1-8H3,(H,27,33)(H,28,34)/b15-13+,16-14+,23-17-,24-18+
InChIKeyKTWXLZUJSJAGDE-CMFCZBAZSA-N
XLogP3.53
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide with MolForge

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Related Compounds

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CID 20850493
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2-[bis(methylsulfanyl)methylidene]-3-oxo-N-phenylbutanamide
CID 15686673
N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide
CID 30850442
(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
CID 134939833
(2E,4Z)-2-carbamoyl-5-(dimethylamino)-3-methylpenta-2,4-dienoic acid
CID 55255314
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
(E)-3-[[(1Z)-3,4-dimethylpenta-1,3-dienyl]-methylamino]-2-ethyl-N-[4-[(Z)-1-(methylamino)prop-1-enyl]phenyl]but-2-enamide
CID 155372390
N-[4-[(4-amino-2-methyl-4-oxobut-2-enoyl)amino]phenyl]-2-methylbut-2-enediamide
CID 54379503
4-acetamido-N-formylbenzamide
CID 89378882
2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide
CID 88971335
4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide
CID 53349566

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide (CID 59424253) is (2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide is CC(=O)/C(C(=O)Nc1ccc(NC(=O)/C(C(C)=O)=C(C)/C=C/N(C)C)cc1)=C(C)/C=C/N(C)C.
What is the InChIKey of (2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide?
The InChIKey is KTWXLZUJSJAGDE-CMFCZBAZSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-17(13-15-29(5)6)23(19(3)31)25(33)27-21-9-11-22(12-10-21)28-26(34)24(20(4)32)18(2)14-16-30(7)8/h9-16H,1-8H3,(H,27,33)(H,28,34)/b15-13+,16-14+,23-17-,24-18+.
What are the key properties of (2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide?
(2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide has a molecular weight of 466.58 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-acetyl-N-[4-[[(2Z,4E)-2-acetyl-5-(dimethylamino)-3-methylpenta-2,4-dienoyl]amino]phenyl]-5-(dimethylamino)-3-methylpenta-2,4-dienamide is sourced from PubChem (CID 59424253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).