N,N-bis(2-hydroxyethyl)dodec-9-enamide

C16H31NO3 — CID 76514639

IUPACN,N-bis(2-hydroxyethyl)dodec-9-enamide
SMILESCCC=CCCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h3-4,18-19H,2,5-15H2,1H3
InChIKeyNWEXKDITTLGWNB-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.50
Rot. Bonds13

About N,N-bis(2-hydroxyethyl)dodec-9-enamide

N,N-bis(2-hydroxyethyl)dodec-9-enamide (PubChem CID 76514639) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)dodec-9-enamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)dodec-9-enamide
PubChem CID76514639
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC NameN,N-bis(2-hydroxyethyl)dodec-9-enamide
SMILESCCC=CCCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h3-4,18-19H,2,5-15H2,1H3
InChIKeyNWEXKDITTLGWNB-UHFFFAOYSA-N
XLogP2.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-bis(2-hydroxyethyl)dodec-9-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)dodec-9-enamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)dodec-9-enamide (CID 76514639) is N,N-bis(2-hydroxyethyl)dodec-9-enamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)dodec-9-enamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)dodec-9-enamide is CCC=CCCCCCCCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)dodec-9-enamide?
The InChIKey is NWEXKDITTLGWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h3-4,18-19H,2,5-15H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)dodec-9-enamide?
N,N-bis(2-hydroxyethyl)dodec-9-enamide has a molecular weight of 285.43 g/mol, XLogP of 2.50, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)dodec-9-enamide is sourced from PubChem (CID 76514639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).