2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide

C32H62N2O8 — CID 87845241

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N(CCC)NC.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C26H54N2O.C6H8O7/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)28(27-3)25-5-2;7-3(8)1-6(13,5(11)12)2-4(9)10/h27H,4-25H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyOSEFPZUDIQBOLQ-UHFFFAOYSA-N
MW602.85 g/mol
LogP6.93
Rot. Bonds28

About 2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide

2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide (PubChem CID 87845241) has the molecular formula C32H62N2O8 and a molecular weight of 602.85 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide
PubChem CID87845241
Molecular FormulaC32H62N2O8
Molecular Weight602.85 g/mol
Exact Mass602.45
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N(CCC)NC.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C26H54N2O.C6H8O7/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)28(27-3)25-5-2;7-3(8)1-6(13,5(11)12)2-4(9)10/h27H,4-25H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyOSEFPZUDIQBOLQ-UHFFFAOYSA-N
XLogP6.93
TPSA164.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.85
LogP ≤ 56.93
H-Bond Donors ≤ 55
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

2-hydroxypropane-1,2,3-tricarboxylic acid;octanoic acid
CID 161458349
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CID 88686314
N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87904249
sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate;decanoic acid
CID 162001356
2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc
CID 175369436
2-hydroxy-2-icosylbutanedioic acid
CID 18762279
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol
CID 175149291
dioctyl butanedioate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175125683
2-(2-hexacosoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 175138993
2-hydroxy-2-(2-oxo-2-tetracosoxyethyl)butanedioic acid
CID 175141883
bis(N-butylbutan-1-amine);2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173418121
heptane-1,2-diol;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 87105338

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide (CID 87845241) is 2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide is CCCCCCCCCCCCCCCCCCCCCC(=O)N(CCC)NC.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide?
The InChIKey is OSEFPZUDIQBOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N2O.C6H8O7/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)28(27-3)25-5-2;7-3(8)1-6(13,5(11)12)2-4(9)10/h27H,4-25H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide?
2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide has a molecular weight of 602.85 g/mol, XLogP of 6.93, 28 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;N'-methyl-N-propyldocosanehydrazide is sourced from PubChem (CID 87845241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).