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

C24H37N3O2 — CID 6156421

IUPACN-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)N/N=C(C)\C=C\c1ccccc1
InChIInChI=1S/C24H37N3O2/c1-3-4-5-6-7-8-9-10-14-17-23(28)25-20-24(29)27-26-21(2)18-19-22-15-12-11-13-16-22/h11-13,15-16,18-19H,3-10,14,17,20H2,1-2H3,(H,25,28)(H,27,29)/b19-18+,26-21-
InChIKeyXGARSEOUUBOMNX-GHCCNCHZSA-N
MW399.58 g/mol
LogP5.23
Rot. Bonds15

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

N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide (PubChem CID 6156421) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide
PubChem CID6156421
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)N/N=C(C)\C=C\c1ccccc1
InChIInChI=1S/C24H37N3O2/c1-3-4-5-6-7-8-9-10-14-17-23(28)25-20-24(29)27-26-21(2)18-19-22-15-12-11-13-16-22/h11-13,15-16,18-19H,3-10,14,17,20H2,1-2H3,(H,25,28)(H,27,29)/b19-18+,26-21-
InChIKeyXGARSEOUUBOMNX-GHCCNCHZSA-N
XLogP5.23
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 55.23
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-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide
CID 51060660
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-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide?
The IUPAC name of N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide (CID 6156421) is N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide.
What is the SMILES notation for N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide?
The canonical SMILES for N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide is CCCCCCCCCCCC(=O)NCC(=O)N/N=C(C)\C=C\c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide?
The InChIKey is XGARSEOUUBOMNX-GHCCNCHZSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-3-4-5-6-7-8-9-10-14-17-23(28)25-20-24(29)27-26-21(2)18-19-22-15-12-11-13-16-22/h11-13,15-16,18-19H,3-10,14,17,20H2,1-2H3,(H,25,28)(H,27,29)/b19-18+,26-21-.
What are the key properties of N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide?
N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide has a molecular weight of 399.58 g/mol, XLogP of 5.23, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide is sourced from PubChem (CID 6156421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).