N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide

C26H41N3O2 — CID 51060660

IUPACN-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C(C)/C=C/c1ccccc1
InChIInChI=1S/C26H41N3O2/c1-3-4-5-6-7-8-9-10-11-12-16-19-25(30)27-22-26(31)29-28-23(2)20-21-24-17-14-13-15-18-24/h13-15,17-18,20-21H,3-12,16,19,22H2,1-2H3,(H,27,30)(H,29,31)/b21-20+,28-23+
InChIKeyYLFNJEBSIXIYSY-QBHFTMPOSA-N
MW427.63 g/mol
LogP6.01
Rot. Bonds17

About N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide

N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide (PubChem CID 51060660) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide
PubChem CID51060660
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC NameN-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C(C)/C=C/c1ccccc1
InChIInChI=1S/C26H41N3O2/c1-3-4-5-6-7-8-9-10-11-12-16-19-25(30)27-22-26(31)29-28-23(2)20-21-24-17-14-13-15-18-24/h13-15,17-18,20-21H,3-12,16,19,22H2,1-2H3,(H,27,30)(H,29,31)/b21-20+,28-23+
InChIKeyYLFNJEBSIXIYSY-QBHFTMPOSA-N
XLogP6.01
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide
CID 6156421
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
4-(octanoylamino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 129437818
2-chloro-N-[2-oxo-2-[2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 15945772
2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 6042340
2-chloro-N-[2-oxo-2-[2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 129441454
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 6013341
4-decoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 51064208
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 3870684
N-(3-phenylprop-2-enyl)hexanamide
CID 54485378

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide?
The IUPAC name of N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide (CID 51060660) is N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide.
What is the SMILES notation for N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide?
The canonical SMILES for N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C(C)/C=C/c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide?
The InChIKey is YLFNJEBSIXIYSY-QBHFTMPOSA-N. The full InChI is InChI=1S/C26H41N3O2/c1-3-4-5-6-7-8-9-10-11-12-16-19-25(30)27-22-26(31)29-28-23(2)20-21-24-17-14-13-15-18-24/h13-15,17-18,20-21H,3-12,16,19,22H2,1-2H3,(H,27,30)(H,29,31)/b21-20+,28-23+.
What are the key properties of N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide?
N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide has a molecular weight of 427.63 g/mol, XLogP of 6.01, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide is sourced from PubChem (CID 51060660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).