2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide

C17H25N3O4 — CID 8834006

IUPAC2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)CN1CCC[C@@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C17H25N3O4/c1-18-16(21)10-19-17(22)11-20-8-4-5-14(20)13-9-12(23-2)6-7-15(13)24-3/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyLIDWDDIOGSDGSH-CQSZACIVSA-N
MW335.40 g/mol
LogP0.70
Rot. Bonds7

About 2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide

2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide (PubChem CID 8834006) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
PubChem CID8834006
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)CN1CCC[C@@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C17H25N3O4/c1-18-16(21)10-19-17(22)11-20-8-4-5-14(20)13-9-12(23-2)6-7-15(13)24-3/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyLIDWDDIOGSDGSH-CQSZACIVSA-N
XLogP0.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-prop-2-ynylacetamide
CID 8833875
2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8833543
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 51226739
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8833892
2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857011
2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857019
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8831486
N-(cyclopentylcarbamoyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46671211
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8834010

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide (CID 8834006) is 2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide is CNC(=O)CNC(=O)CN1CCC[C@@H]1c1cc(OC)ccc1OC.
What is the InChIKey of 2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide?
The InChIKey is LIDWDDIOGSDGSH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-18-16(21)10-19-17(22)11-20-8-4-5-14(20)13-9-12(23-2)6-7-15(13)24-3/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,18,21)(H,19,22)/t14-/m1/s1.
What are the key properties of 2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide?
2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide has a molecular weight of 335.40 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide is sourced from PubChem (CID 8834006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).