2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide

C30H32N2O3 — CID 18789837

IUPAC2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C(=O)Cc1coc2ccccc12)C(CN1CCCC1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C30H32N2O3/c1-31(30(33)19-25-22-35-29-15-6-5-14-27(25)29)28(20-32-16-7-8-17-32)24-12-9-13-26(18-24)34-21-23-10-3-2-4-11-23/h2-6,9-15,18,22,28H,7-8,16-17,19-21H2,1H3
InChIKeyJRPZHOQDOCFUOY-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.85
Rot. Bonds9

About 2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 18789837) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID18789837
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C(=O)Cc1coc2ccccc12)C(CN1CCCC1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C30H32N2O3/c1-31(30(33)19-25-22-35-29-15-6-5-14-27(25)29)28(20-32-16-7-8-17-32)24-12-9-13-26(18-24)34-21-23-10-3-2-4-11-23/h2-6,9-15,18,22,28H,7-8,16-17,19-21H2,1H3
InChIKeyJRPZHOQDOCFUOY-UHFFFAOYSA-N
XLogP5.85
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 18789837) is 2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is CN(C(=O)Cc1coc2ccccc12)C(CN1CCCC1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is JRPZHOQDOCFUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-31(30(33)19-25-22-35-29-15-6-5-14-27(25)29)28(20-32-16-7-8-17-32)24-12-9-13-26(18-24)34-21-23-10-3-2-4-11-23/h2-6,9-15,18,22,28H,7-8,16-17,19-21H2,1H3.
What are the key properties of 2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 468.60 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-N-methyl-N-[1-(3-phenylmethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 18789837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).