N,N'-bis(but-3-yn-2-yl)decanediamide

C18H28N2O2 — CID 142746556

IUPACN,N'-bis(but-3-yn-2-yl)decanediamide
SMILESC#CC(C)NC(=O)CCCCCCCCC(=O)NC(C)C#C
InChIInChI=1S/C18H28N2O2/c1-5-15(3)19-17(21)13-11-9-7-8-10-12-14-18(22)20-16(4)6-2/h1-2,15-16H,7-14H2,3-4H3,(H,19,21)(H,20,22)
InChIKeyGRPOUWBXXQTMGD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.38
Rot. Bonds11

About N,N'-bis(but-3-yn-2-yl)decanediamide

N,N'-bis(but-3-yn-2-yl)decanediamide (PubChem CID 142746556) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N,N'-bis(but-3-yn-2-yl)decanediamide.

Molecular Properties

Compound NameN,N'-bis(but-3-yn-2-yl)decanediamide
PubChem CID142746556
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN,N'-bis(but-3-yn-2-yl)decanediamide
SMILESC#CC(C)NC(=O)CCCCCCCCC(=O)NC(C)C#C
InChIInChI=1S/C18H28N2O2/c1-5-15(3)19-17(21)13-11-9-7-8-10-12-14-18(22)20-16(4)6-2/h1-2,15-16H,7-14H2,3-4H3,(H,19,21)(H,20,22)
InChIKeyGRPOUWBXXQTMGD-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.38
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-but-3-yn-2-ylhexanamide
CID 114389654
N-but-3-yn-2-yl-4-hydroxybutanamide
CID 114420372
N-but-3-yn-2-yl-4-(methylamino)butanamide
CID 114417259
N-but-3-yn-2-yl-4-hydroxypentanamide
CID 114420373
N,N'-di(propan-2-yl)decanediamide
CID 58997511
(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide
CID 114389809
1-but-3-yn-2-yl-3-(3-methylbutan-2-yl)urea
CID 130891248
N-pentan-2-ylundecanamide
CID 173258559
20-(1-hydroxyethylamino)-20-oxoicosanoic acid
CID 137417852

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(but-3-yn-2-yl)decanediamide?
The IUPAC name of N,N'-bis(but-3-yn-2-yl)decanediamide (CID 142746556) is N,N'-bis(but-3-yn-2-yl)decanediamide.
What is the SMILES notation for N,N'-bis(but-3-yn-2-yl)decanediamide?
The canonical SMILES for N,N'-bis(but-3-yn-2-yl)decanediamide is C#CC(C)NC(=O)CCCCCCCCC(=O)NC(C)C#C.
What is the InChIKey of N,N'-bis(but-3-yn-2-yl)decanediamide?
The InChIKey is GRPOUWBXXQTMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-15(3)19-17(21)13-11-9-7-8-10-12-14-18(22)20-16(4)6-2/h1-2,15-16H,7-14H2,3-4H3,(H,19,21)(H,20,22).
What are the key properties of N,N'-bis(but-3-yn-2-yl)decanediamide?
N,N'-bis(but-3-yn-2-yl)decanediamide has a molecular weight of 304.43 g/mol, XLogP of 2.38, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(but-3-yn-2-yl)decanediamide is sourced from PubChem (CID 142746556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).