[(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate

C32H59NO6 — CID 118471083

IUPAC[(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)CC/C(=N/O)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C32H59NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(34)38-29(33-37)27-28-32(36)39-31(35)26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-28H2,1-2H3/b33-29-
InChIKeyCVQSRGBRMUUAGO-IYOYZZHUSA-N
MW553.83 g/mol
LogP9.57
Rot. Bonds27

About [(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate

[(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate (PubChem CID 118471083) has the molecular formula C32H59NO6 and a molecular weight of 553.83 g/mol. Its IUPAC name is [(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate.

Molecular Properties

Compound Name[(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate
PubChem CID118471083
Molecular FormulaC32H59NO6
Molecular Weight553.83 g/mol
Exact Mass553.43
IUPAC Name[(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)CC/C(=N/O)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C32H59NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(34)38-29(33-37)27-28-32(36)39-31(35)26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-28H2,1-2H3/b33-29-
InChIKeyCVQSRGBRMUUAGO-IYOYZZHUSA-N
XLogP9.57
TPSA102.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.83
LogP ≤ 59.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze [(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
dodecanoyl dodecanoate;ethanol
CID 157135932
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
alumane;tetradecanoyl tetradecanoate;zinc
CID 173056587
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
sodium;hydride;octanoyl octadecanoate
CID 173299765

Frequently Asked Questions

What is the IUPAC name of [(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate?
The IUPAC name of [(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate (CID 118471083) is [(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate.
What is the SMILES notation for [(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate?
The canonical SMILES for [(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate is CCCCCCCCCCCCCC(=O)OC(=O)CC/C(=N/O)OC(=O)CCCCCCCCCCCCC.
What is the InChIKey of [(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate?
The InChIKey is CVQSRGBRMUUAGO-IYOYZZHUSA-N. The full InChI is InChI=1S/C32H59NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(34)38-29(33-37)27-28-32(36)39-31(35)26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-28H2,1-2H3/b33-29-.
What are the key properties of [(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate?
[(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate has a molecular weight of 553.83 g/mol, XLogP of 9.57, 27 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-N-hydroxy-C-(3-oxo-3-tetradecanoyloxypropyl)carbonimidoyl] tetradecanoate is sourced from PubChem (CID 118471083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).