2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide

C18H34N2O4 — CID 141484951

IUPAC2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide
SMILESCCCCCCCCC=CC(CC(N)=O)C(=O)N(CCO)CCO
InChIInChI=1S/C18H34N2O4/c1-2-3-4-5-6-7-8-9-10-16(15-17(19)23)18(24)20(11-13-21)12-14-22/h9-10,16,21-22H,2-8,11-15H2,1H3,(H2,19,23)
InChIKeyRTQSCBDKKXXUJG-UHFFFAOYSA-N
MW342.48 g/mol
LogP1.60
Rot. Bonds15

About 2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide

2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide (PubChem CID 141484951) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide.

Molecular Properties

Compound Name2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide
PubChem CID141484951
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Name2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide
SMILESCCCCCCCCC=CC(CC(N)=O)C(=O)N(CCO)CCO
InChIInChI=1S/C18H34N2O4/c1-2-3-4-5-6-7-8-9-10-16(15-17(19)23)18(24)20(11-13-21)12-14-22/h9-10,16,21-22H,2-8,11-15H2,1H3,(H2,19,23)
InChIKeyRTQSCBDKKXXUJG-UHFFFAOYSA-N
XLogP1.60
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide?
The IUPAC name of 2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide (CID 141484951) is 2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide.
What is the SMILES notation for 2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide?
The canonical SMILES for 2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide is CCCCCCCCC=CC(CC(N)=O)C(=O)N(CCO)CCO.
What is the InChIKey of 2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide?
The InChIKey is RTQSCBDKKXXUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-2-3-4-5-6-7-8-9-10-16(15-17(19)23)18(24)20(11-13-21)12-14-22/h9-10,16,21-22H,2-8,11-15H2,1H3,(H2,19,23).
What are the key properties of 2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide?
2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide has a molecular weight of 342.48 g/mol, XLogP of 1.60, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide is sourced from PubChem (CID 141484951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).