2-undecylhexanediamide

C17H34N2O2 — CID 174629940

IUPAC2-undecylhexanediamide
SMILESCCCCCCCCCCCC(CCCC(N)=O)C(N)=O
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-12-15(17(19)21)13-11-14-16(18)20/h15H,2-14H2,1H3,(H2,18,20)(H2,19,21)
InChIKeyCJDIHCJJPGDODA-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.66
Rot. Bonds15

About 2-undecylhexanediamide

2-undecylhexanediamide (PubChem CID 174629940) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-undecylhexanediamide.

Molecular Properties

Compound Name2-undecylhexanediamide
PubChem CID174629940
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-undecylhexanediamide
SMILESCCCCCCCCCCCC(CCCC(N)=O)C(N)=O
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-12-15(17(19)21)13-11-14-16(18)20/h15H,2-14H2,1H3,(H2,18,20)(H2,19,21)
InChIKeyCJDIHCJJPGDODA-UHFFFAOYSA-N
XLogP3.66
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
2-ethyloctadecanamide;hexadecanamide
CID 174921591
2-ethylhexadecanamide;octadecanamide
CID 159948815
2-propylhexadecanediamide
CID 142717306
ethene;2-hexadecyloctadecanamide
CID 87836706
2,9-dibutyldecanediamide
CID 141080467
12-carbamoyltricosanoic acid
CID 118615002

Frequently Asked Questions

What is the IUPAC name of 2-undecylhexanediamide?
The IUPAC name of 2-undecylhexanediamide (CID 174629940) is 2-undecylhexanediamide.
What is the SMILES notation for 2-undecylhexanediamide?
The canonical SMILES for 2-undecylhexanediamide is CCCCCCCCCCCC(CCCC(N)=O)C(N)=O.
What is the InChIKey of 2-undecylhexanediamide?
The InChIKey is CJDIHCJJPGDODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-12-15(17(19)21)13-11-14-16(18)20/h15H,2-14H2,1H3,(H2,18,20)(H2,19,21).
What are the key properties of 2-undecylhexanediamide?
2-undecylhexanediamide has a molecular weight of 298.47 g/mol, XLogP of 3.66, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecylhexanediamide is sourced from PubChem (CID 174629940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).