(2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide

C26H39N3O2 — CID 144544309

IUPAC(2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide
SMILESCC.CC.CC/C(C)=C\C=C(/C)C(=O)N(N)c1ccccc1.O=CNc1ccccc1
InChIInChI=1S/C15H20N2O.C7H7NO.2C2H6/c1-4-12(2)10-11-13(3)15(18)17(16)14-8-6-5-7-9-14;9-6-8-7-4-2-1-3-5-7;2*1-2/h5-11H,4,16H2,1-3H3;1-6H,(H,8,9);2*1-2H3/b12-10-,13-11+;;;
InChIKeyCLBBVZUUKNJNRY-QPCMCGHOSA-N
MW425.62 g/mol
LogP6.50
Rot. Bonds6

About (2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide

(2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide (PubChem CID 144544309) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is (2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide.

Molecular Properties

Compound Name(2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide
PubChem CID144544309
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC Name(2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide
SMILESCC.CC.CC/C(C)=C\C=C(/C)C(=O)N(N)c1ccccc1.O=CNc1ccccc1
InChIInChI=1S/C15H20N2O.C7H7NO.2C2H6/c1-4-12(2)10-11-13(3)15(18)17(16)14-8-6-5-7-9-14;9-6-8-7-4-2-1-3-5-7;2*1-2/h5-11H,4,16H2,1-3H3;1-6H,(H,8,9);2*1-2H3/b12-10-,13-11+;;;
InChIKeyCLBBVZUUKNJNRY-QPCMCGHOSA-N
XLogP6.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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cesium;hydride;N-phenylformamide
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lithium;hydride;N-phenylformamide
CID 174281873
N-[4-[1-(4-formamidophenyl)propyl]phenyl]acetamide
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1-[(Z)-but-2-en-2-yl]-1-phenylhydrazine;ethane
CID 143746169
2-anilino-N,N-dimethylbutanamide
CID 137320686
1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea
CID 108914323
(2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide
CID 70512604
1-bromo-3,6-dimethylocta-3,5-dien-2-one
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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide?
The IUPAC name of (2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide (CID 144544309) is (2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide.
What is the SMILES notation for (2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide?
The canonical SMILES for (2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide is CC.CC.CC/C(C)=C\C=C(/C)C(=O)N(N)c1ccccc1.O=CNc1ccccc1.
What is the InChIKey of (2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide?
The InChIKey is CLBBVZUUKNJNRY-QPCMCGHOSA-N. The full InChI is InChI=1S/C15H20N2O.C7H7NO.2C2H6/c1-4-12(2)10-11-13(3)15(18)17(16)14-8-6-5-7-9-14;9-6-8-7-4-2-1-3-5-7;2*1-2/h5-11H,4,16H2,1-3H3;1-6H,(H,8,9);2*1-2H3/b12-10-,13-11+;;;.
What are the key properties of (2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide?
(2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide has a molecular weight of 425.62 g/mol, XLogP of 6.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,5-dimethyl-N-phenylhepta-2,4-dienehydrazide;ethane;N-phenylformamide is sourced from PubChem (CID 144544309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).