N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide

C35H69NO3 — CID 155267999

IUPACN-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide
SMILESCCCCCCCCCCCCCCCCOCC(O)CN(CCC1CCC1)C(=O)CCCCCCCCC
InChIInChI=1S/C35H69NO3/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-30-39-32-34(37)31-36(29-28-33-25-24-26-33)35(38)27-22-20-18-10-8-6-4-2/h33-34,37H,3-32H2,1-2H3
InChIKeyZASCBDMESXPDOW-UHFFFAOYSA-N
MW551.94 g/mol
LogP10.00
Rot. Bonds30

About N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide

N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide (PubChem CID 155267999) has the molecular formula C35H69NO3 and a molecular weight of 551.94 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide
PubChem CID155267999
Molecular FormulaC35H69NO3
Molecular Weight551.94 g/mol
Exact Mass551.53
IUPAC NameN-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide
SMILESCCCCCCCCCCCCCCCCOCC(O)CN(CCC1CCC1)C(=O)CCCCCCCCC
InChIInChI=1S/C35H69NO3/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-30-39-32-34(37)31-36(29-28-33-25-24-26-33)35(38)27-22-20-18-10-8-6-4-2/h33-34,37H,3-32H2,1-2H3
InChIKeyZASCBDMESXPDOW-UHFFFAOYSA-N
XLogP10.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.94
LogP ≤ 510.00
H-Bond Donors ≤ 51
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-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide?
The IUPAC name of N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide (CID 155267999) is N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide.
What is the SMILES notation for N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide?
The canonical SMILES for N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide is CCCCCCCCCCCCCCCCOCC(O)CN(CCC1CCC1)C(=O)CCCCCCCCC.
What is the InChIKey of N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide?
The InChIKey is ZASCBDMESXPDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H69NO3/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-30-39-32-34(37)31-36(29-28-33-25-24-26-33)35(38)27-22-20-18-10-8-6-4-2/h33-34,37H,3-32H2,1-2H3.
What are the key properties of N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide?
N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide has a molecular weight of 551.94 g/mol, XLogP of 10.00, 30 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-N-(3-hexadecoxy-2-hydroxypropyl)decanamide is sourced from PubChem (CID 155267999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).