dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate

C32H64N2O4 — CID 145029349

IUPACdodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate
SMILESCCCCCCCCCCCCOC(=O)CCNN(CC)CCC(=O)OCCCCCCCCCCCC
InChIInChI=1S/C32H64N2O4/c1-4-7-9-11-13-15-17-19-21-23-29-37-31(35)25-27-33-34(6-3)28-26-32(36)38-30-24-22-20-18-16-14-12-10-8-5-2/h33H,4-30H2,1-3H3
InChIKeyCIRYHVKSKCYPFA-UHFFFAOYSA-N
MW540.87 g/mol
LogP8.52
Rot. Bonds30

About dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate

dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate (PubChem CID 145029349) has the molecular formula C32H64N2O4 and a molecular weight of 540.87 g/mol. Its IUPAC name is dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate.

Molecular Properties

Compound Namedodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate
PubChem CID145029349
Molecular FormulaC32H64N2O4
Molecular Weight540.87 g/mol
Exact Mass540.49
IUPAC Namedodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate
SMILESCCCCCCCCCCCCOC(=O)CCNN(CC)CCC(=O)OCCCCCCCCCCCC
InChIInChI=1S/C32H64N2O4/c1-4-7-9-11-13-15-17-19-21-23-29-37-31(35)25-27-33-34(6-3)28-26-32(36)38-30-24-22-20-18-16-14-12-10-8-5-2/h33H,4-30H2,1-3H3
InChIKeyCIRYHVKSKCYPFA-UHFFFAOYSA-N
XLogP8.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.87
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 3-(dimethylamino)propanoate
CID 11483031
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
dihexadecyl butanedioate
CID 3572854
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
heptyl 3-(ethylamino)propanoate
CID 62328311
methyl 3-[2-[2-[2-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl-ethylamino]ethyl-ethylamino]ethyl-ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 90207758
tridecyl 3-[2-[bis[2-[methyl-(3-oxo-3-tridecoxypropyl)amino]ethyl]amino]ethyl-methylamino]propanoate
CID 73389311
dotriacontyl pentacosanoate
CID 168953252
henicosyl pentacosanoate
CID 170167377
pentacosyl hexadecanoate
CID 71330492
hentriacontyl hexadecanoate
CID 172856688
1-O-heptyl 7-O-undecyl heptanedioate
CID 91718424

Frequently Asked Questions

What is the IUPAC name of dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate?
The IUPAC name of dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate (CID 145029349) is dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate.
What is the SMILES notation for dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate?
The canonical SMILES for dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate is CCCCCCCCCCCCOC(=O)CCNN(CC)CCC(=O)OCCCCCCCCCCCC.
What is the InChIKey of dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate?
The InChIKey is CIRYHVKSKCYPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N2O4/c1-4-7-9-11-13-15-17-19-21-23-29-37-31(35)25-27-33-34(6-3)28-26-32(36)38-30-24-22-20-18-16-14-12-10-8-5-2/h33H,4-30H2,1-3H3.
What are the key properties of dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate?
dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate has a molecular weight of 540.87 g/mol, XLogP of 8.52, 30 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 3-[2-(3-dodecoxy-3-oxopropyl)-2-ethylhydrazinyl]propanoate is sourced from PubChem (CID 145029349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).