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

C42H85NO3 — CID 118244347

IUPACN-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)CNC(=O)CCOCCOC
InChIInChI=1S/C42H85NO3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(40-43-42(44)36-37-46-39-38-45-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h41H,4-40H2,1-3H3,(H,43,44)
InChIKeyKVTJKIXCIXAPHF-UHFFFAOYSA-N
MW652.15 g/mol
LogP13.29
Rot. Bonds40

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

N-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide (PubChem CID 118244347) has the molecular formula C42H85NO3 and a molecular weight of 652.15 g/mol. Its IUPAC name is N-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide
PubChem CID118244347
Molecular FormulaC42H85NO3
Molecular Weight652.15 g/mol
Exact Mass651.65
IUPAC NameN-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)CNC(=O)CCOCCOC
InChIInChI=1S/C42H85NO3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(40-43-42(44)36-37-46-39-38-45-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h41H,4-40H2,1-3H3,(H,43,44)
InChIKeyKVTJKIXCIXAPHF-UHFFFAOYSA-N
XLogP13.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds40
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.15
LogP ≤ 513.29
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-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide?
The IUPAC name of N-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide (CID 118244347) is N-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide.
What is the SMILES notation for N-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide?
The canonical SMILES for N-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide is CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)CNC(=O)CCOCCOC.
What is the InChIKey of N-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide?
The InChIKey is KVTJKIXCIXAPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H85NO3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(40-43-42(44)36-37-46-39-38-45-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h41H,4-40H2,1-3H3,(H,43,44).
What are the key properties of N-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide?
N-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide has a molecular weight of 652.15 g/mol, XLogP of 13.29, 40 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-heptadecylnonadecyl)-3-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 118244347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).