2,2-didodecyl-3-nonylpentadecanamide

C48H97NO — CID 175756263

IUPAC2,2-didodecyl-3-nonylpentadecanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C48H97NO/c1-5-9-13-17-21-24-27-31-35-39-43-46(42-38-34-30-20-16-12-8-4)48(47(49)50,44-40-36-32-28-25-22-18-14-10-6-2)45-41-37-33-29-26-23-19-15-11-7-3/h46H,5-45H2,1-4H3,(H2,49,50)
InChIKeyYFJQCFQLMKCAIV-UHFFFAOYSA-N
MW704.31 g/mol
LogP17.15
Rot. Bonds43

About 2,2-didodecyl-3-nonylpentadecanamide

2,2-didodecyl-3-nonylpentadecanamide (PubChem CID 175756263) has the molecular formula C48H97NO and a molecular weight of 704.31 g/mol. Its IUPAC name is 2,2-didodecyl-3-nonylpentadecanamide.

Molecular Properties

Compound Name2,2-didodecyl-3-nonylpentadecanamide
PubChem CID175756263
Molecular FormulaC48H97NO
Molecular Weight704.31 g/mol
Exact Mass703.76
IUPAC Name2,2-didodecyl-3-nonylpentadecanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C48H97NO/c1-5-9-13-17-21-24-27-31-35-39-43-46(42-38-34-30-20-16-12-8-4)48(47(49)50,44-40-36-32-28-25-22-18-14-10-6-2)45-41-37-33-29-26-23-19-15-11-7-3/h46H,5-45H2,1-4H3,(H2,49,50)
InChIKeyYFJQCFQLMKCAIV-UHFFFAOYSA-N
XLogP17.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds43
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.31
LogP ≤ 517.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

15,16,16,18,18,19-hexa(tetradecyl)tritriacontan-17-one
CID 175062470
2,3-dibutyl-2-octyldecanoic acid
CID 87603742
16-(13-carboxytridecyl)-17-nonyltetratriacontane-1,16,34-tricarboxylic acid
CID 123152686
silyl 2,2-diheptyl-3-propyldecanoate
CID 123286365
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2,3-tridodecylpentadecanethioic S-acid
CID 87318467
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-trioctadecylhenicosanoate
CID 142637799
2,3-dibutyl-2-ethyldodecanoic acid
CID 91044194
3-butyl-2,2-dioctyldecanedioic acid
CID 91189239
1-amino-3-carbamoyl-3-octyl-1-oxoundecane-2-sulfonic acid
CID 151900782
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
CID 22596903
2-icosyl-2-pentyldocosanamide
CID 175538156

Frequently Asked Questions

What is the IUPAC name of 2,2-didodecyl-3-nonylpentadecanamide?
The IUPAC name of 2,2-didodecyl-3-nonylpentadecanamide (CID 175756263) is 2,2-didodecyl-3-nonylpentadecanamide.
What is the SMILES notation for 2,2-didodecyl-3-nonylpentadecanamide?
The canonical SMILES for 2,2-didodecyl-3-nonylpentadecanamide is CCCCCCCCCCCCC(CCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(N)=O.
What is the InChIKey of 2,2-didodecyl-3-nonylpentadecanamide?
The InChIKey is YFJQCFQLMKCAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H97NO/c1-5-9-13-17-21-24-27-31-35-39-43-46(42-38-34-30-20-16-12-8-4)48(47(49)50,44-40-36-32-28-25-22-18-14-10-6-2)45-41-37-33-29-26-23-19-15-11-7-3/h46H,5-45H2,1-4H3,(H2,49,50).
What are the key properties of 2,2-didodecyl-3-nonylpentadecanamide?
2,2-didodecyl-3-nonylpentadecanamide has a molecular weight of 704.31 g/mol, XLogP of 17.15, 43 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-didodecyl-3-nonylpentadecanamide is sourced from PubChem (CID 175756263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).