2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide

C21H26N2O3 — CID 99883066

IUPAC2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@H]2CCCN2c2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-11-10-16(13-20(19)26-2)14-21(24)22-15-18-9-6-12-23(18)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyDACJNQBCFXIROU-GOSISDBHSA-N
MW354.45 g/mol
LogP3.03
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide (PubChem CID 99883066) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
PubChem CID99883066
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@H]2CCCN2c2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-11-10-16(13-20(19)26-2)14-21(24)22-15-18-9-6-12-23(18)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyDACJNQBCFXIROU-GOSISDBHSA-N
XLogP3.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide (CID 99883066) is 2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide is COc1ccc(CC(=O)NC[C@H]2CCCN2c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide?
The InChIKey is DACJNQBCFXIROU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-11-10-16(13-20(19)26-2)14-21(24)22-15-18-9-6-12-23(18)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 99883066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).