2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide

C48H96N2O4 — CID 604093

IUPAC2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCCOCC(=O)N(CCC)CCC
InChIInChI=1S/C48H96N2O4/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-50(48(52)46-54-44-43-53-45-47(51)49(39-7-3)40-8-4)42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-46H2,1-4H3
InChIKeyUKLVPVPGVSSSIB-UHFFFAOYSA-N
MW765.31 g/mol
LogP14.02
Rot. Bonds45

About 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide

2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide (PubChem CID 604093) has the molecular formula C48H96N2O4 and a molecular weight of 765.31 g/mol. Its IUPAC name is 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide
PubChem CID604093
Molecular FormulaC48H96N2O4
Molecular Weight765.31 g/mol
Exact Mass764.74
IUPAC Name2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCCOCC(=O)N(CCC)CCC
InChIInChI=1S/C48H96N2O4/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-50(48(52)46-54-44-43-53-45-47(51)49(39-7-3)40-8-4)42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-46H2,1-4H3
InChIKeyUKLVPVPGVSSSIB-UHFFFAOYSA-N
XLogP14.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds45
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.31
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide (CID 604093) is 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide is CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCCOCC(=O)N(CCC)CCC.
What is the InChIKey of 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide?
The InChIKey is UKLVPVPGVSSSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H96N2O4/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-50(48(52)46-54-44-43-53-45-47(51)49(39-7-3)40-8-4)42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-46H2,1-4H3.
What are the key properties of 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide?
2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide has a molecular weight of 765.31 g/mol, XLogP of 14.02, 45 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]ethoxy]-N,N-dipropylacetamide is sourced from PubChem (CID 604093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).