N,N-bis(3-hydroxypropyl)octadecanamide

C24H49NO3 — CID 12821056

IUPACN,N-bis(3-hydroxypropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCCO)CCCO
InChIInChI=1S/C24H49NO3/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/h26-27H,2-23H2,1H3
InChIKeyFBRMXMWWWNILJP-UHFFFAOYSA-N
MW399.66 g/mol
LogP5.84
Rot. Bonds22

About N,N-bis(3-hydroxypropyl)octadecanamide

N,N-bis(3-hydroxypropyl)octadecanamide (PubChem CID 12821056) has the molecular formula C24H49NO3 and a molecular weight of 399.66 g/mol. Its IUPAC name is N,N-bis(3-hydroxypropyl)octadecanamide.

Molecular Properties

Compound NameN,N-bis(3-hydroxypropyl)octadecanamide
PubChem CID12821056
Molecular FormulaC24H49NO3
Molecular Weight399.66 g/mol
Exact Mass399.37
IUPAC NameN,N-bis(3-hydroxypropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCCO)CCCO
InChIInChI=1S/C24H49NO3/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/h26-27H,2-23H2,1H3
InChIKeyFBRMXMWWWNILJP-UHFFFAOYSA-N
XLogP5.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-hydroxypropyl)octadecanamide?
The IUPAC name of N,N-bis(3-hydroxypropyl)octadecanamide (CID 12821056) is N,N-bis(3-hydroxypropyl)octadecanamide.
What is the SMILES notation for N,N-bis(3-hydroxypropyl)octadecanamide?
The canonical SMILES for N,N-bis(3-hydroxypropyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N(CCCO)CCCO.
What is the InChIKey of N,N-bis(3-hydroxypropyl)octadecanamide?
The InChIKey is FBRMXMWWWNILJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO3/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/h26-27H,2-23H2,1H3.
What are the key properties of N,N-bis(3-hydroxypropyl)octadecanamide?
N,N-bis(3-hydroxypropyl)octadecanamide has a molecular weight of 399.66 g/mol, XLogP of 5.84, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-hydroxypropyl)octadecanamide is sourced from PubChem (CID 12821056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).