(1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide

C24H32BrNO3 — CID 44523100

IUPAC(1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide
SMILESBr.CCOC(C(=O)OCC1CCCN1C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3.BrH/c1-4-28-24(20-12-7-5-8-13-20,21-14-9-6-10-15-21)23(26)27-18-22-16-11-17-25(22)19(2)3;/h5-10,12-15,19,22H,4,11,16-18H2,1-3H3;1H
InChIKeyQCLKJHTZJNBMQM-UHFFFAOYSA-N
MW462.43 g/mol
LogP4.96
Rot. Bonds8

About (1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide

(1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide (PubChem CID 44523100) has the molecular formula C24H32BrNO3 and a molecular weight of 462.43 g/mol. Its IUPAC name is (1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide.

Molecular Properties

Compound Name(1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide
PubChem CID44523100
Molecular FormulaC24H32BrNO3
Molecular Weight462.43 g/mol
Exact Mass461.16
IUPAC Name(1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide
SMILESBr.CCOC(C(=O)OCC1CCCN1C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3.BrH/c1-4-28-24(20-12-7-5-8-13-20,21-14-9-6-10-15-21)23(26)27-18-22-16-11-17-25(22)19(2)3;/h5-10,12-15,19,22H,4,11,16-18H2,1-3H3;1H
InChIKeyQCLKJHTZJNBMQM-UHFFFAOYSA-N
XLogP4.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide?
The IUPAC name of (1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide (CID 44523100) is (1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide.
What is the SMILES notation for (1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide?
The canonical SMILES for (1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide is Br.CCOC(C(=O)OCC1CCCN1C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide?
The InChIKey is QCLKJHTZJNBMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3.BrH/c1-4-28-24(20-12-7-5-8-13-20,21-14-9-6-10-15-21)23(26)27-18-22-16-11-17-25(22)19(2)3;/h5-10,12-15,19,22H,4,11,16-18H2,1-3H3;1H.
What are the key properties of (1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide?
(1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide has a molecular weight of 462.43 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide is sourced from PubChem (CID 44523100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).