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

C32H65NO3 — CID 118244385

IUPACN-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)CNC(=O)CCOCCOC
InChIInChI=1S/C32H65NO3/c1-4-6-8-10-12-14-16-18-20-22-24-31(30-33-32(34)26-27-36-29-28-35-3)25-23-21-19-17-15-13-11-9-7-5-2/h31H,4-30H2,1-3H3,(H,33,34)
InChIKeyYJACQBBALHUSQD-UHFFFAOYSA-N
MW511.88 g/mol
LogP9.39
Rot. Bonds30

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

N-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide (PubChem CID 118244385) has the molecular formula C32H65NO3 and a molecular weight of 511.88 g/mol. Its IUPAC name is N-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide
PubChem CID118244385
Molecular FormulaC32H65NO3
Molecular Weight511.88 g/mol
Exact Mass511.50
IUPAC NameN-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)CNC(=O)CCOCCOC
InChIInChI=1S/C32H65NO3/c1-4-6-8-10-12-14-16-18-20-22-24-31(30-33-32(34)26-27-36-29-28-35-3)25-23-21-19-17-15-13-11-9-7-5-2/h31H,4-30H2,1-3H3,(H,33,34)
InChIKeyYJACQBBALHUSQD-UHFFFAOYSA-N
XLogP9.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.88
LogP ≤ 59.39
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-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide?
The IUPAC name of N-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide (CID 118244385) is N-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide.
What is the SMILES notation for N-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide?
The canonical SMILES for N-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide is CCCCCCCCCCCCC(CCCCCCCCCCCC)CNC(=O)CCOCCOC.
What is the InChIKey of N-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide?
The InChIKey is YJACQBBALHUSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H65NO3/c1-4-6-8-10-12-14-16-18-20-22-24-31(30-33-32(34)26-27-36-29-28-35-3)25-23-21-19-17-15-13-11-9-7-5-2/h31H,4-30H2,1-3H3,(H,33,34).
What are the key properties of N-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide?
N-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide has a molecular weight of 511.88 g/mol, XLogP of 9.39, 30 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dodecyltetradecyl)-3-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 118244385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).