2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C22H28N2O4 — CID 60603605

IUPAC2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C22H28N2O4/c1-26-19-12-21(28-3)20(27-2)11-18(19)13-23-22(25)15-24-10-9-17(14-24)16-7-5-4-6-8-16/h4-8,11-12,17H,9-10,13-15H2,1-3H3,(H,23,25)
InChIKeyVTSNOIWIPQKURV-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.82
Rot. Bonds8

About 2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 60603605) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID60603605
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C22H28N2O4/c1-26-19-12-21(28-3)20(27-2)11-18(19)13-23-22(25)15-24-10-9-17(14-24)16-7-5-4-6-8-16/h4-8,11-12,17H,9-10,13-15H2,1-3H3,(H,23,25)
InChIKeyVTSNOIWIPQKURV-UHFFFAOYSA-N
XLogP2.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 60603605) is 2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)CN1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is VTSNOIWIPQKURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-19-12-21(28-3)20(27-2)11-18(19)13-23-22(25)15-24-10-9-17(14-24)16-7-5-4-6-8-16/h4-8,11-12,17H,9-10,13-15H2,1-3H3,(H,23,25).
What are the key properties of 2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 60603605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).