N,N'-didecyldodeca-5,7-diynediamide

C32H56N2O2 — CID 88921625

IUPACN,N'-didecyldodeca-5,7-diynediamide
SMILESCCCCCCCCCCNC(=O)CCCC#CC#CCCCC(=O)NCCCCCCCCCC
InChIInChI=1S/C32H56N2O2/c1-3-5-7-9-11-17-21-25-29-33-31(35)27-23-19-15-13-14-16-20-24-28-32(36)34-30-26-22-18-12-10-8-6-4-2/h3-12,17-30H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyZFPZZKKFPCXXKL-UHFFFAOYSA-N
MW500.81 g/mol
LogP7.85
Rot. Bonds24

About N,N'-didecyldodeca-5,7-diynediamide

N,N'-didecyldodeca-5,7-diynediamide (PubChem CID 88921625) has the molecular formula C32H56N2O2 and a molecular weight of 500.81 g/mol. Its IUPAC name is N,N'-didecyldodeca-5,7-diynediamide.

Molecular Properties

Compound NameN,N'-didecyldodeca-5,7-diynediamide
PubChem CID88921625
Molecular FormulaC32H56N2O2
Molecular Weight500.81 g/mol
Exact Mass500.43
IUPAC NameN,N'-didecyldodeca-5,7-diynediamide
SMILESCCCCCCCCCCNC(=O)CCCC#CC#CCCCC(=O)NCCCCCCCCCC
InChIInChI=1S/C32H56N2O2/c1-3-5-7-9-11-17-21-25-29-33-31(35)27-23-19-15-13-14-16-20-24-28-32(36)34-30-26-22-18-12-10-8-6-4-2/h3-12,17-30H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyZFPZZKKFPCXXKL-UHFFFAOYSA-N
XLogP7.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.81
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-di(tetradecyl)docosa-10,12-diynediamide
CID 146309118
N-(3-hydroxypropyl)hexacosa-10,12-diynamide
CID 71323360
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N,N'-didecyldodeca-5,7-diynediamide?
The IUPAC name of N,N'-didecyldodeca-5,7-diynediamide (CID 88921625) is N,N'-didecyldodeca-5,7-diynediamide.
What is the SMILES notation for N,N'-didecyldodeca-5,7-diynediamide?
The canonical SMILES for N,N'-didecyldodeca-5,7-diynediamide is CCCCCCCCCCNC(=O)CCCC#CC#CCCCC(=O)NCCCCCCCCCC.
What is the InChIKey of N,N'-didecyldodeca-5,7-diynediamide?
The InChIKey is ZFPZZKKFPCXXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O2/c1-3-5-7-9-11-17-21-25-29-33-31(35)27-23-19-15-13-14-16-20-24-28-32(36)34-30-26-22-18-12-10-8-6-4-2/h3-12,17-30H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of N,N'-didecyldodeca-5,7-diynediamide?
N,N'-didecyldodeca-5,7-diynediamide has a molecular weight of 500.81 g/mol, XLogP of 7.85, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-didecyldodeca-5,7-diynediamide is sourced from PubChem (CID 88921625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).