2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate

C22H33NO3 — CID 44522605

IUPAC2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate
SMILESCOC(C(=O)OCCC1CCCN1C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H33NO3/c1-23-16-9-14-20(23)15-17-26-21(24)22(25-2,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,19-20H,4,7-9,12-17H2,1-2H3
InChIKeyBUABEPGVYMMDKB-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.14
Rot. Bonds7

About 2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate

2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate (PubChem CID 44522605) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate
PubChem CID44522605
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate
SMILESCOC(C(=O)OCCC1CCCN1C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H33NO3/c1-23-16-9-14-20(23)15-17-26-21(24)22(25-2,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,19-20H,4,7-9,12-17H2,1-2H3
InChIKeyBUABEPGVYMMDKB-UHFFFAOYSA-N
XLogP4.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate (CID 44522605) is 2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate is COC(C(=O)OCCC1CCCN1C)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate?
The InChIKey is BUABEPGVYMMDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3/c1-23-16-9-14-20(23)15-17-26-21(24)22(25-2,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,19-20H,4,7-9,12-17H2,1-2H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate?
2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate has a molecular weight of 359.51 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)ethyl 2-cyclohexyl-2-methoxy-2-phenylacetate is sourced from PubChem (CID 44522605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).