2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide

C24H32N2O3 — CID 71462154

IUPAC2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2C(C)C)C1
InChIInChI=1S/C24H32N2O3/c1-4-28-23-12-8-6-10-21(23)24(27)25-19-13-14-26(17-19)15-16-29-22-11-7-5-9-20(22)18(2)3/h5-12,18-19H,4,13-17H2,1-3H3,(H,25,27)
InChIKeyHQDFVBNAAKOTJK-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.09
Rot. Bonds9

About 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide

2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (PubChem CID 71462154) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
PubChem CID71462154
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2C(C)C)C1
InChIInChI=1S/C24H32N2O3/c1-4-28-23-12-8-6-10-21(23)24(27)25-19-13-14-26(17-19)15-16-29-22-11-7-5-9-20(22)18(2)3/h5-12,18-19H,4,13-17H2,1-3H3,(H,25,27)
InChIKeyHQDFVBNAAKOTJK-UHFFFAOYSA-N
XLogP4.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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A-349821 free base
CID 9954017
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide (CID 71462154) is 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is CCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2C(C)C)C1.
What is the InChIKey of 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
The InChIKey is HQDFVBNAAKOTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-4-28-23-12-8-6-10-21(23)24(27)25-19-13-14-26(17-19)15-16-29-22-11-7-5-9-20(22)18(2)3/h5-12,18-19H,4,13-17H2,1-3H3,(H,25,27).
What are the key properties of 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide?
2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide has a molecular weight of 396.53 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71462154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).