2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

C23H30N2O3 — CID 10273543

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCOc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC
InChIInChI=1S/C23H30N2O3/c1-24(23(26)16-18-11-12-21(27-2)22(15-18)28-3)20(17-25-13-7-8-14-25)19-9-5-4-6-10-19/h4-6,9-12,15,20H,7-8,13-14,16-17H2,1-3H3/t20-/m1/s1
InChIKeyZXZVOBBRKVGPQV-HXUWFJFHSA-N
MW382.50 g/mol
LogP3.54
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 10273543) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID10273543
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCOc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC
InChIInChI=1S/C23H30N2O3/c1-24(23(26)16-18-11-12-21(27-2)22(15-18)28-3)20(17-25-13-7-8-14-25)19-9-5-4-6-10-19/h4-6,9-12,15,20H,7-8,13-14,16-17H2,1-3H3/t20-/m1/s1
InChIKeyZXZVOBBRKVGPQV-HXUWFJFHSA-N
XLogP3.54
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zatebradine
CID 65637
3,4-Dimethoxy-N-(phenylmethyl)benzeneacetamide
CID 2253267
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 67318
2H-3-Benzazepin-2-one, 3-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, hydrochloride (1:1)
CID 3045335
N-[1-(3-Methoxy-phenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-2-(4-trifluoromethyl-phenyl)-acetamide
CID 10207990
3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 819330
N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
CID 2813904
(4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 11268574
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 871055
2-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)acetamide
CID 1909740
N-(2-(3,4-dimethoxyphenyl)ethyl)benzamide
CID 272506

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (CID 10273543) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is ZXZVOBBRKVGPQV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-24(23(26)16-18-11-12-21(27-2)22(15-18)28-3)20(17-25-13-7-8-14-25)19-9-5-4-6-10-19/h4-6,9-12,15,20H,7-8,13-14,16-17H2,1-3H3/t20-/m1/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 10273543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).