2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C24H31N3O4 — CID 8833543

IUPAC2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C24H31N3O4/c1-16-7-5-8-20(17(16)2)26-23(28)14-25-24(29)15-27-12-6-9-21(27)19-13-18(30-3)10-11-22(19)31-4/h5,7-8,10-11,13,21H,6,9,12,14-15H2,1-4H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyXWENTFQFHYDLGL-NRFANRHFSA-N
MW425.53 g/mol
LogP3.21
Rot. Bonds8

About 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 8833543) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID8833543
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C24H31N3O4/c1-16-7-5-8-20(17(16)2)26-23(28)14-25-24(29)15-27-12-6-9-21(27)19-13-18(30-3)10-11-22(19)31-4/h5,7-8,10-11,13,21H,6,9,12,14-15H2,1-4H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyXWENTFQFHYDLGL-NRFANRHFSA-N
XLogP3.21
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
CID 8834006
2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8833574
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8831486
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8832997
2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26648605
N-(5-chloro-2-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831667
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8832070
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 8833875
N-(2,6-diethylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8832055
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 51226739
2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857011

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 8833543) is 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is XWENTFQFHYDLGL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-16-7-5-8-20(17(16)2)26-23(28)14-25-24(29)15-27-12-6-9-21(27)19-13-18(30-3)10-11-22(19)31-4/h5,7-8,10-11,13,21H,6,9,12,14-15H2,1-4H3,(H,25,29)(H,26,28)/t21-/m0/s1.
What are the key properties of 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 8833543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).