N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide

C26H51N3O2 — CID 56982229

IUPACN'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN(CCC)CN1CCCC1=O
InChIInChI=1S/C26H51N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(30)27-29(22-4-2)24-28-23-19-21-26(28)31/h3-24H2,1-2H3,(H,27,30)
InChIKeyJXUQNCQQWCKWTH-UHFFFAOYSA-N
MW437.71 g/mol
LogP6.57
Rot. Bonds21

About N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide

N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide (PubChem CID 56982229) has the molecular formula C26H51N3O2 and a molecular weight of 437.71 g/mol. Its IUPAC name is N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide.

Molecular Properties

Compound NameN'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide
PubChem CID56982229
Molecular FormulaC26H51N3O2
Molecular Weight437.71 g/mol
Exact Mass437.40
IUPAC NameN'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN(CCC)CN1CCCC1=O
InChIInChI=1S/C26H51N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(30)27-29(22-4-2)24-28-23-19-21-26(28)31/h3-24H2,1-2H3,(H,27,30)
InChIKeyJXUQNCQQWCKWTH-UHFFFAOYSA-N
XLogP6.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.71
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
methyl-[(2-oxopyrrolidin-1-yl)methyl]-bis[(tetradecanoylamino)methyl]azanium chloride
CID 67875777
(2-oxopyrrolidin-1-yl)methyl octadecanoate
CID 175360179
1-decanoylpyrrolidin-2-one
CID 11021000
N'-(2-hydroxyethyl)-N'-propylhexadecanehydrazide
CID 175534170
methyl-[(2-oxopyrrolidin-1-yl)methyl]-bis[3-(undecanoylamino)propyl]azanium chloride
CID 67875855
bis[3-(hexadecanoylamino)propyl]-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
CID 67875788
N',N'-diethylhexadecanehydrazide
CID 141450549
ethyl-methyl-[3-(octadecanoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium bromide
CID 70357841
nonyl 2-(2-oxopyrrolidin-1-yl)acetate
CID 10778404
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide
CID 37359459

Frequently Asked Questions

What is the IUPAC name of N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide?
The IUPAC name of N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide (CID 56982229) is N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide.
What is the SMILES notation for N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide?
The canonical SMILES for N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide is CCCCCCCCCCCCCCCCCC(=O)NN(CCC)CN1CCCC1=O.
What is the InChIKey of N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide?
The InChIKey is JXUQNCQQWCKWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(30)27-29(22-4-2)24-28-23-19-21-26(28)31/h3-24H2,1-2H3,(H,27,30).
What are the key properties of N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide?
N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide has a molecular weight of 437.71 g/mol, XLogP of 6.57, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-oxopyrrolidin-1-yl)methyl]-N'-propyloctadecanehydrazide is sourced from PubChem (CID 56982229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).