2,13-dimethylidenetetradecanediamide

C16H28N2O2 — CID 87303548

IUPAC2,13-dimethylidenetetradecanediamide
SMILESC=C(CCCCCCCCCCC(=C)C(N)=O)C(N)=O
InChIInChI=1S/C16H28N2O2/c1-13(15(17)19)11-9-7-5-3-4-6-8-10-12-14(2)16(18)20/h1-12H2,(H2,17,19)(H2,18,20)
InChIKeyZZRCJTHLFXXTPO-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.97
Rot. Bonds13

About 2,13-dimethylidenetetradecanediamide

2,13-dimethylidenetetradecanediamide (PubChem CID 87303548) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,13-dimethylidenetetradecanediamide.

Molecular Properties

Compound Name2,13-dimethylidenetetradecanediamide
PubChem CID87303548
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2,13-dimethylidenetetradecanediamide
SMILESC=C(CCCCCCCCCCC(=C)C(N)=O)C(N)=O
InChIInChI=1S/C16H28N2O2/c1-13(15(17)19)11-9-7-5-3-4-6-8-10-12-14(2)16(18)20/h1-12H2,(H2,17,19)(H2,18,20)
InChIKeyZZRCJTHLFXXTPO-UHFFFAOYSA-N
XLogP2.97
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.97
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'}

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Related Compounds

2,9-dimethylidenedecanediamide
CID 22052797
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
6-amino-2-methylidenehexanamide
CID 90258126
6-carbamoylhept-6-enoic acid
CID 172557406
2-methylidenehexanediamide
CID 22482529
16-(dimethylamino)-2-methylidenehexadecanamide
CID 23169563
5-chloro-2-methylidenepentanamide
CID 87433992
2-methylidene-8-(oxiran-2-yl)octanamide
CID 135222774
(Z)-2-methylideneicos-11-enamide
CID 87373212
2,3,4,5,6,7-hexamethylidenetridecanediamide
CID 154984566
5-(dimethylamino)-2-methylidenepentanamide
CID 18359659

Frequently Asked Questions

What is the IUPAC name of 2,13-dimethylidenetetradecanediamide?
The IUPAC name of 2,13-dimethylidenetetradecanediamide (CID 87303548) is 2,13-dimethylidenetetradecanediamide.
What is the SMILES notation for 2,13-dimethylidenetetradecanediamide?
The canonical SMILES for 2,13-dimethylidenetetradecanediamide is C=C(CCCCCCCCCCC(=C)C(N)=O)C(N)=O.
What is the InChIKey of 2,13-dimethylidenetetradecanediamide?
The InChIKey is ZZRCJTHLFXXTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(15(17)19)11-9-7-5-3-4-6-8-10-12-14(2)16(18)20/h1-12H2,(H2,17,19)(H2,18,20).
What are the key properties of 2,13-dimethylidenetetradecanediamide?
2,13-dimethylidenetetradecanediamide has a molecular weight of 280.41 g/mol, XLogP of 2.97, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13-dimethylidenetetradecanediamide is sourced from PubChem (CID 87303548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).