N,N-bis(hydroxymethyl)octadec-9-enamide

C20H39NO3 — CID 54088713

IUPACN,N-bis(hydroxymethyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N(CO)CO
InChIInChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)21(18-22)19-23/h9-10,22-23H,2-8,11-19H2,1H3
InChIKeyMSILQFCGBKRNAT-UHFFFAOYSA-N
MW341.54 g/mol
LogP4.75
Rot. Bonds17

About N,N-bis(hydroxymethyl)octadec-9-enamide

N,N-bis(hydroxymethyl)octadec-9-enamide (PubChem CID 54088713) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is N,N-bis(hydroxymethyl)octadec-9-enamide.

Molecular Properties

Compound NameN,N-bis(hydroxymethyl)octadec-9-enamide
PubChem CID54088713
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC NameN,N-bis(hydroxymethyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N(CO)CO
InChIInChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)21(18-22)19-23/h9-10,22-23H,2-8,11-19H2,1H3
InChIKeyMSILQFCGBKRNAT-UHFFFAOYSA-N
XLogP4.75
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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(hydroxymethyl)octadec-9-enamide?
The IUPAC name of N,N-bis(hydroxymethyl)octadec-9-enamide (CID 54088713) is N,N-bis(hydroxymethyl)octadec-9-enamide.
What is the SMILES notation for N,N-bis(hydroxymethyl)octadec-9-enamide?
The canonical SMILES for N,N-bis(hydroxymethyl)octadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)N(CO)CO.
What is the InChIKey of N,N-bis(hydroxymethyl)octadec-9-enamide?
The InChIKey is MSILQFCGBKRNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)21(18-22)19-23/h9-10,22-23H,2-8,11-19H2,1H3.
What are the key properties of N,N-bis(hydroxymethyl)octadec-9-enamide?
N,N-bis(hydroxymethyl)octadec-9-enamide has a molecular weight of 341.54 g/mol, XLogP of 4.75, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(hydroxymethyl)octadec-9-enamide is sourced from PubChem (CID 54088713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).