(Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide

C24H47NO3 — CID 100961498

IUPAC(Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCCO)CCCO
InChIInChI=1S/C24H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(28)25(20-17-22-26)21-18-23-27/h9-10,26-27H,2-8,11-23H2,1H3/b10-9-
InChIKeyNXCZESZRWHXGPG-KTKRTIGZSA-N
MW397.64 g/mol
LogP5.62
Rot. Bonds21

About (Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide

(Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide (PubChem CID 100961498) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is (Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide
PubChem CID100961498
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name(Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCCO)CCCO
InChIInChI=1S/C24H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(28)25(20-17-22-26)21-18-23-27/h9-10,26-27H,2-8,11-23H2,1H3/b10-9-
InChIKeyNXCZESZRWHXGPG-KTKRTIGZSA-N
XLogP5.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 55.62
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 (Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide?
The IUPAC name of (Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide (CID 100961498) is (Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide?
The canonical SMILES for (Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(CCCO)CCCO.
What is the InChIKey of (Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide?
The InChIKey is NXCZESZRWHXGPG-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(28)25(20-17-22-26)21-18-23-27/h9-10,26-27H,2-8,11-23H2,1H3/b10-9-.
What are the key properties of (Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide?
(Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide has a molecular weight of 397.64 g/mol, XLogP of 5.62, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-bis(3-hydroxypropyl)octadec-9-enamide is sourced from PubChem (CID 100961498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).