3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide

C36H73NO3 — CID 118244362

IUPAC3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)CCOCCOC
InChIInChI=1S/C36H73NO3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-35(34-37-36(38)30-31-40-33-32-39-3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-34H2,1-3H3,(H,37,38)
InChIKeySWOVMDJDFHFKDD-UHFFFAOYSA-N
MW567.98 g/mol
LogP10.95
Rot. Bonds34

About 3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide

3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide (PubChem CID 118244362) has the molecular formula C36H73NO3 and a molecular weight of 567.98 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide
PubChem CID118244362
Molecular FormulaC36H73NO3
Molecular Weight567.98 g/mol
Exact Mass567.56
IUPAC Name3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)CCOCCOC
InChIInChI=1S/C36H73NO3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-35(34-37-36(38)30-31-40-33-32-39-3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-34H2,1-3H3,(H,37,38)
InChIKeySWOVMDJDFHFKDD-UHFFFAOYSA-N
XLogP10.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.98
LogP ≤ 510.95
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 3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide (CID 118244362) is 3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide is CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)CCOCCOC.
What is the InChIKey of 3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide?
The InChIKey is SWOVMDJDFHFKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73NO3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-35(34-37-36(38)30-31-40-33-32-39-3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-34H2,1-3H3,(H,37,38).
What are the key properties of 3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide?
3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide has a molecular weight of 567.98 g/mol, XLogP of 10.95, 34 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-(2-tetradecylhexadecyl)propanamide is sourced from PubChem (CID 118244362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).