2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate

C24H33NO3 — CID 44522626

IUPAC2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate
SMILESCCCN(CCC)CCOC(=O)C(OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO3/c1-4-17-25(18-5-2)19-20-27-23(26)24(28-6-3,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16H,4-6,17-20H2,1-3H3
InChIKeyDCMDBKQCXHVKKT-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.63
Rot. Bonds12

About 2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate

2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate (PubChem CID 44522626) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate.

Molecular Properties

Compound Name2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate
PubChem CID44522626
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate
SMILESCCCN(CCC)CCOC(=O)C(OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO3/c1-4-17-25(18-5-2)19-20-27-23(26)24(28-6-3,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16H,4-6,17-20H2,1-3H3
InChIKeyDCMDBKQCXHVKKT-UHFFFAOYSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate?
The IUPAC name of 2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate (CID 44522626) is 2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate.
What is the SMILES notation for 2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate?
The canonical SMILES for 2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate is CCCN(CCC)CCOC(=O)C(OCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate?
The InChIKey is DCMDBKQCXHVKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-4-17-25(18-5-2)19-20-27-23(26)24(28-6-3,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16H,4-6,17-20H2,1-3H3.
What are the key properties of 2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate?
2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate has a molecular weight of 383.53 g/mol, XLogP of 4.63, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)ethyl 2-ethoxy-2,2-diphenylacetate is sourced from PubChem (CID 44522626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).