N,N'-di(tetradecyl)docosa-10,12-diynediamide

C50H92N2O2 — CID 146309118

IUPACN,N'-di(tetradecyl)docosa-10,12-diynediamide
SMILESCCCCCCCCCCCCCCNC(=O)CCCCCCCCC#CC#CCCCCCCCCC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C50H92N2O2/c1-3-5-7-9-11-13-15-27-31-35-39-43-47-51-49(53)45-41-37-33-29-25-23-21-19-17-18-20-22-24-26-30-34-38-42-46-50(54)52-48-44-40-36-32-28-16-14-12-10-8-6-4-2/h3-16,21-48H2,1-2H3,(H,51,53)(H,52,54)
InChIKeySZWUYPZQLVRMED-UHFFFAOYSA-N
MW753.30 g/mol
LogP14.87
Rot. Bonds42

About N,N'-di(tetradecyl)docosa-10,12-diynediamide

N,N'-di(tetradecyl)docosa-10,12-diynediamide (PubChem CID 146309118) has the molecular formula C50H92N2O2 and a molecular weight of 753.30 g/mol. Its IUPAC name is N,N'-di(tetradecyl)docosa-10,12-diynediamide.

Molecular Properties

Compound NameN,N'-di(tetradecyl)docosa-10,12-diynediamide
PubChem CID146309118
Molecular FormulaC50H92N2O2
Molecular Weight753.30 g/mol
Exact Mass752.72
IUPAC NameN,N'-di(tetradecyl)docosa-10,12-diynediamide
SMILESCCCCCCCCCCCCCCNC(=O)CCCCCCCCC#CC#CCCCCCCCCC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C50H92N2O2/c1-3-5-7-9-11-13-15-27-31-35-39-43-47-51-49(53)45-41-37-33-29-25-23-21-19-17-18-20-22-24-26-30-34-38-42-46-50(54)52-48-44-40-36-32-28-16-14-12-10-8-6-4-2/h3-16,21-48H2,1-2H3,(H,51,53)(H,52,54)
InChIKeySZWUYPZQLVRMED-UHFFFAOYSA-N
XLogP14.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds42
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.30
LogP ≤ 514.87
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'-didecyldodeca-5,7-diynediamide
CID 88921625
N-(3-hydroxypropyl)hexacosa-10,12-diynamide
CID 71323360
N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide
CID 58297943
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
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

Frequently Asked Questions

What is the IUPAC name of N,N'-di(tetradecyl)docosa-10,12-diynediamide?
The IUPAC name of N,N'-di(tetradecyl)docosa-10,12-diynediamide (CID 146309118) is N,N'-di(tetradecyl)docosa-10,12-diynediamide.
What is the SMILES notation for N,N'-di(tetradecyl)docosa-10,12-diynediamide?
The canonical SMILES for N,N'-di(tetradecyl)docosa-10,12-diynediamide is CCCCCCCCCCCCCCNC(=O)CCCCCCCCC#CC#CCCCCCCCCC(=O)NCCCCCCCCCCCCCC.
What is the InChIKey of N,N'-di(tetradecyl)docosa-10,12-diynediamide?
The InChIKey is SZWUYPZQLVRMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H92N2O2/c1-3-5-7-9-11-13-15-27-31-35-39-43-47-51-49(53)45-41-37-33-29-25-23-21-19-17-18-20-22-24-26-30-34-38-42-46-50(54)52-48-44-40-36-32-28-16-14-12-10-8-6-4-2/h3-16,21-48H2,1-2H3,(H,51,53)(H,52,54).
What are the key properties of N,N'-di(tetradecyl)docosa-10,12-diynediamide?
N,N'-di(tetradecyl)docosa-10,12-diynediamide has a molecular weight of 753.30 g/mol, XLogP of 14.87, 42 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(tetradecyl)docosa-10,12-diynediamide is sourced from PubChem (CID 146309118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).