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

C38H77NO3 — CID 118244333

IUPAC3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide
SMILESCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)CNC(=O)CCOCCOC
InChIInChI=1S/C38H77NO3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(36-39-38(40)32-33-42-35-34-41-3)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3,(H,39,40)
InChIKeyQDEDHOMSMIXWGH-UHFFFAOYSA-N
MW596.04 g/mol
LogP11.73
Rot. Bonds36

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

3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide (PubChem CID 118244333) has the molecular formula C38H77NO3 and a molecular weight of 596.04 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide
PubChem CID118244333
Molecular FormulaC38H77NO3
Molecular Weight596.04 g/mol
Exact Mass595.59
IUPAC Name3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide
SMILESCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)CNC(=O)CCOCCOC
InChIInChI=1S/C38H77NO3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(36-39-38(40)32-33-42-35-34-41-3)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3,(H,39,40)
InChIKeyQDEDHOMSMIXWGH-UHFFFAOYSA-N
XLogP11.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.04
LogP ≤ 511.73
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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Related Compounds

CID 21654556
CID 21654556
CID 48006695
CID 48006695
CID 57679376
CID 57679376
CID 57679403
CID 57679403
CID 57740898
CID 57740898
CID 58589795
CID 58589795
CID 59301922
CID 59301922
CID 59301941
CID 59301941
CID 59811723
CID 59811723
CID 59811758
CID 59811758
CID 70661348
CID 70661348
CID 118244297
CID 118244297

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide (CID 118244333) is 3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide is CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)CNC(=O)CCOCCOC.
What is the InChIKey of 3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide?
The InChIKey is QDEDHOMSMIXWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H77NO3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(36-39-38(40)32-33-42-35-34-41-3)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3,(H,39,40).
What are the key properties of 3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide?
3-(2-methoxyethoxy)-N-(2-pentadecylheptadecyl)propanamide has a molecular weight of 596.04 g/mol, XLogP of 11.73, 36 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-pentadecylheptadecyl)propanamide is sourced from PubChem (CID 118244333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).