2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate

C24H33NO3 — CID 44522624

IUPAC2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate
SMILESCCOC(C(=O)OCCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO3/c1-6-28-24(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(26)27-18-17-25(19(2)3)20(4)5/h7-16,19-20H,6,17-18H2,1-5H3
InChIKeyBMUJNAWPOXDRPK-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.63
Rot. Bonds10

About 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate

2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate (PubChem CID 44522624) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate
PubChem CID44522624
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate
SMILESCCOC(C(=O)OCCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO3/c1-6-28-24(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(26)27-18-17-25(19(2)3)20(4)5/h7-16,19-20H,6,17-18H2,1-5H3
InChIKeyBMUJNAWPOXDRPK-UHFFFAOYSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
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-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate?
The IUPAC name of 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate (CID 44522624) is 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate is CCOC(C(=O)OCCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate?
The InChIKey is BMUJNAWPOXDRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-6-28-24(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(26)27-18-17-25(19(2)3)20(4)5/h7-16,19-20H,6,17-18H2,1-5H3.
What are the key properties of 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate?
2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate has a molecular weight of 383.53 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate is sourced from PubChem (CID 44522624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).