2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide

C16H23N3O4 — CID 8857019

IUPAC2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
SMILESCOc1ccc([C@H]2CCCN2CC(=O)NCC(N)=O)c(OC)c1
InChIInChI=1S/C16H23N3O4/c1-22-11-5-6-12(14(8-11)23-2)13-4-3-7-19(13)10-16(21)18-9-15(17)20/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,17,20)(H,18,21)/t13-/m1/s1
InChIKeyXDRLGQROEKQWIP-CYBMUJFWSA-N
MW321.38 g/mol
LogP0.44
Rot. Bonds7

About 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide

2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide (PubChem CID 8857019) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
PubChem CID8857019
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
SMILESCOc1ccc([C@H]2CCCN2CC(=O)NCC(N)=O)c(OC)c1
InChIInChI=1S/C16H23N3O4/c1-22-11-5-6-12(14(8-11)23-2)13-4-3-7-19(13)10-16(21)18-9-15(17)20/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,17,20)(H,18,21)/t13-/m1/s1
InChIKeyXDRLGQROEKQWIP-CYBMUJFWSA-N
XLogP0.44
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857011
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8853855
2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26648605
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176
2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
CID 8834006
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 8835105
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26546400
N'-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 8854676
2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 24574965
ethyl 4-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 46613529
methyl 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 8835199
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 8833875

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide (CID 8857019) is 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide is COc1ccc([C@H]2CCCN2CC(=O)NCC(N)=O)c(OC)c1.
What is the InChIKey of 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide?
The InChIKey is XDRLGQROEKQWIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-11-5-6-12(14(8-11)23-2)13-4-3-7-19(13)10-16(21)18-9-15(17)20/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,17,20)(H,18,21)/t13-/m1/s1.
What are the key properties of 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide?
2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide has a molecular weight of 321.38 g/mol, XLogP of 0.44, 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-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8857019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).