2,3,4,5,6,7-hexamethylidenetridecanediamide

C19H26N2O2 — CID 154984566

IUPAC2,3,4,5,6,7-hexamethylidenetridecanediamide
SMILESC=C(CCCCCC(N)=O)C(=C)C(=C)C(=C)C(=C)C(=C)C(N)=O
InChIInChI=1S/C19H26N2O2/c1-12(10-8-7-9-11-18(20)22)13(2)14(3)15(4)16(5)17(6)19(21)23/h1-11H2,(H2,20,22)(H2,21,23)
InChIKeyQJKGALOWUZHBHD-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.24
Rot. Bonds12

About 2,3,4,5,6,7-hexamethylidenetridecanediamide

2,3,4,5,6,7-hexamethylidenetridecanediamide (PubChem CID 154984566) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexamethylidenetridecanediamide.

Molecular Properties

Compound Name2,3,4,5,6,7-hexamethylidenetridecanediamide
PubChem CID154984566
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2,3,4,5,6,7-hexamethylidenetridecanediamide
SMILESC=C(CCCCCC(N)=O)C(=C)C(=C)C(=C)C(=C)C(=C)C(N)=O
InChIInChI=1S/C19H26N2O2/c1-12(10-8-7-9-11-18(20)22)13(2)14(3)15(4)16(5)17(6)19(21)23/h1-11H2,(H2,20,22)(H2,21,23)
InChIKeyQJKGALOWUZHBHD-UHFFFAOYSA-N
XLogP3.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,13-dimethylidenetetradecanediamide
CID 87303548
2,9-dimethylidenedecanediamide
CID 22052797
2-methylidenehexanediamide
CID 22482529
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
copper;tridecanediamide
CID 159780260
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
hexanediamide;hydrazine
CID 160978463
hexanediamide;hydrazine
CID 160854105

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexamethylidenetridecanediamide?
The IUPAC name of 2,3,4,5,6,7-hexamethylidenetridecanediamide (CID 154984566) is 2,3,4,5,6,7-hexamethylidenetridecanediamide.
What is the SMILES notation for 2,3,4,5,6,7-hexamethylidenetridecanediamide?
The canonical SMILES for 2,3,4,5,6,7-hexamethylidenetridecanediamide is C=C(CCCCCC(N)=O)C(=C)C(=C)C(=C)C(=C)C(=C)C(N)=O.
What is the InChIKey of 2,3,4,5,6,7-hexamethylidenetridecanediamide?
The InChIKey is QJKGALOWUZHBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12(10-8-7-9-11-18(20)22)13(2)14(3)15(4)16(5)17(6)19(21)23/h1-11H2,(H2,20,22)(H2,21,23).
What are the key properties of 2,3,4,5,6,7-hexamethylidenetridecanediamide?
2,3,4,5,6,7-hexamethylidenetridecanediamide has a molecular weight of 314.43 g/mol, XLogP of 3.24, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexamethylidenetridecanediamide is sourced from PubChem (CID 154984566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).