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

C22H43NO3 — CID 7164

IUPACN,N-bis(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3
InChIKeyLPMBTLLQQJBUOO-UHFFFAOYSA-N
MW369.59 g/mol
LogP4.84
Rot. Bonds19

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

N,N-bis(2-hydroxyethyl)octadec-9-enamide (PubChem CID 7164) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)octadec-9-enamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)octadec-9-enamide
PubChem CID7164
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC NameN,N-bis(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3
InChIKeyLPMBTLLQQJBUOO-UHFFFAOYSA-N
XLogP4.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 54.84
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)octadec-9-enamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)octadec-9-enamide (CID 7164) is N,N-bis(2-hydroxyethyl)octadec-9-enamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)octadec-9-enamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)octadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)octadec-9-enamide?
The InChIKey is LPMBTLLQQJBUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)octadec-9-enamide?
N,N-bis(2-hydroxyethyl)octadec-9-enamide has a molecular weight of 369.59 g/mol, XLogP of 4.84, 19 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)octadec-9-enamide is sourced from PubChem (CID 7164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).