2-(2,4-dipentylphenoxy)-N,N-diethylacetamide

C22H37NO2 — CID 71332513

IUPAC2-(2,4-dipentylphenoxy)-N,N-diethylacetamide
SMILESCCCCCc1ccc(OCC(=O)N(CC)CC)c(CCCCC)c1
InChIInChI=1S/C22H37NO2/c1-5-9-11-13-19-15-16-21(20(17-19)14-12-10-6-2)25-18-22(24)23(7-3)8-4/h15-17H,5-14,18H2,1-4H3
InChIKeyJAEANXPMQQXRDH-UHFFFAOYSA-N
MW347.54 g/mol
LogP5.40
Rot. Bonds13

About 2-(2,4-dipentylphenoxy)-N,N-diethylacetamide

2-(2,4-dipentylphenoxy)-N,N-diethylacetamide (PubChem CID 71332513) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is 2-(2,4-dipentylphenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2,4-dipentylphenoxy)-N,N-diethylacetamide
PubChem CID71332513
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name2-(2,4-dipentylphenoxy)-N,N-diethylacetamide
SMILESCCCCCc1ccc(OCC(=O)N(CC)CC)c(CCCCC)c1
InChIInChI=1S/C22H37NO2/c1-5-9-11-13-19-15-16-21(20(17-19)14-12-10-6-2)25-18-22(24)23(7-3)8-4/h15-17H,5-14,18H2,1-4H3
InChIKeyJAEANXPMQQXRDH-UHFFFAOYSA-N
XLogP5.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2,4-dipentylphenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(2,4-dipentylphenoxy)-N,N-diethylacetamide (CID 71332513) is 2-(2,4-dipentylphenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2,4-dipentylphenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(2,4-dipentylphenoxy)-N,N-diethylacetamide is CCCCCc1ccc(OCC(=O)N(CC)CC)c(CCCCC)c1.
What is the InChIKey of 2-(2,4-dipentylphenoxy)-N,N-diethylacetamide?
The InChIKey is JAEANXPMQQXRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-5-9-11-13-19-15-16-21(20(17-19)14-12-10-6-2)25-18-22(24)23(7-3)8-4/h15-17H,5-14,18H2,1-4H3.
What are the key properties of 2-(2,4-dipentylphenoxy)-N,N-diethylacetamide?
2-(2,4-dipentylphenoxy)-N,N-diethylacetamide has a molecular weight of 347.54 g/mol, XLogP of 5.40, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dipentylphenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 71332513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).