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

C24H34ClNO3 — CID 44522623

IUPAC2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H33NO3.ClH/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;1H
InChIKeyXLEWQHAHBGDAHD-UHFFFAOYSA-N
MW419.99 g/mol
LogP5.05
Rot. Bonds10

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

2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride (PubChem CID 44522623) has the molecular formula C24H34ClNO3 and a molecular weight of 419.99 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
PubChem CID44522623
Molecular FormulaC24H34ClNO3
Molecular Weight419.99 g/mol
Exact Mass419.22
IUPAC Name2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H33NO3.ClH/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;1H
InChIKeyXLEWQHAHBGDAHD-UHFFFAOYSA-N
XLogP5.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.99
LogP ≤ 55.05
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;hydrochloride?
The IUPAC name of 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride (CID 44522623) is 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride is CCOC(C(=O)OCCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is XLEWQHAHBGDAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3.ClH/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;1H.
What are the key properties of 2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride?
2-[di(propan-2-yl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 419.99 g/mol, XLogP of 5.05, 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;hydrochloride is sourced from PubChem (CID 44522623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).