formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid

C34H65NO11 — CID 144985044

IUPACformic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid
SMILESCC(CCCCCCCCCCC(=O)O)(CCCCCCCCCCC(=O)O)C(=O)NCCOCCOCCOCCO.O=CO
InChIInChI=1S/C33H63NO9.CH2O2/c1-33(20-16-12-8-4-2-6-10-14-18-30(36)37,21-17-13-9-5-3-7-11-15-19-31(38)39)32(40)34-22-24-41-26-28-43-29-27-42-25-23-35;2-1-3/h35H,2-29H2,1H3,(H,34,40)(H,36,37)(H,38,39);1H,(H,2,3)
InChIKeyUXWCQFFJYYZEAY-UHFFFAOYSA-N
MW663.89 g/mol
LogP5.82
Rot. Bonds34

About formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid

formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid (PubChem CID 144985044) has the molecular formula C34H65NO11 and a molecular weight of 663.89 g/mol. Its IUPAC name is formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid.

Molecular Properties

Compound Nameformic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid
PubChem CID144985044
Molecular FormulaC34H65NO11
Molecular Weight663.89 g/mol
Exact Mass663.46
IUPAC Nameformic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid
SMILESCC(CCCCCCCCCCC(=O)O)(CCCCCCCCCCC(=O)O)C(=O)NCCOCCOCCOCCO.O=CO
InChIInChI=1S/C33H63NO9.CH2O2/c1-33(20-16-12-8-4-2-6-10-14-18-30(36)37,21-17-13-9-5-3-7-11-15-19-31(38)39)32(40)34-22-24-41-26-28-43-29-27-42-25-23-35;2-1-3/h35H,2-29H2,1H3,(H,34,40)(H,36,37)(H,38,39);1H,(H,2,3)
InChIKeyUXWCQFFJYYZEAY-UHFFFAOYSA-N
XLogP5.82
TPSA188.92 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds34
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.89
LogP ≤ 55.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid
CID 118533340
bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide
CID 166636671
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
16-oxo-16-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethylamino]hexadecanoic acid
CID 173042619
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid
CID 154937129
ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
CID 155740333
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442
2-(ethylamino)-N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropanamide
CID 62834232
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939

Frequently Asked Questions

What is the IUPAC name of formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid?
The IUPAC name of formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid (CID 144985044) is formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid.
What is the SMILES notation for formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid?
The canonical SMILES for formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid is CC(CCCCCCCCCCC(=O)O)(CCCCCCCCCCC(=O)O)C(=O)NCCOCCOCCOCCO.O=CO.
What is the InChIKey of formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid?
The InChIKey is UXWCQFFJYYZEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H63NO9.CH2O2/c1-33(20-16-12-8-4-2-6-10-14-18-30(36)37,21-17-13-9-5-3-7-11-15-19-31(38)39)32(40)34-22-24-41-26-28-43-29-27-42-25-23-35;2-1-3/h35H,2-29H2,1H3,(H,34,40)(H,36,37)(H,38,39);1H,(H,2,3).
What are the key properties of formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid?
formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid has a molecular weight of 663.89 g/mol, XLogP of 5.82, 34 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;12-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]-12-methyltricosanedioic acid is sourced from PubChem (CID 144985044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).