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

C20H31N3O4 — CID 8833361

IUPAC2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC(=O)NCCC(C)C)c1
InChIInChI=1S/C20H31N3O4/c1-14(2)9-10-21-20(25)22-19(24)13-23-11-5-6-17(23)16-12-15(26-3)7-8-18(16)27-4/h7-8,12,14,17H,5-6,9-11,13H2,1-4H3,(H2,21,22,24,25)/t17-/m0/s1
InChIKeyYJFFHUIVEFFHMB-KRWDZBQOSA-N
MW377.49 g/mol
LogP2.71
Rot. Bonds8

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

2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 8833361) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID8833361
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC(=O)NCCC(C)C)c1
InChIInChI=1S/C20H31N3O4/c1-14(2)9-10-21-20(25)22-19(24)13-23-11-5-6-17(23)16-12-15(26-3)7-8-18(16)27-4/h7-8,12,14,17H,5-6,9-11,13H2,1-4H3,(H2,21,22,24,25)/t17-/m0/s1
InChIKeyYJFFHUIVEFFHMB-KRWDZBQOSA-N
XLogP2.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8834010
N-(benzylcarbamoyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26648081
N-(cyclopentylcarbamoyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46671211
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 51226739
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 8833875
2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
CID 8834006
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8831486
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8832070
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615040
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide (CID 8833361) is 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide is COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC(=O)NCCC(C)C)c1.
What is the InChIKey of 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is YJFFHUIVEFFHMB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-14(2)9-10-21-20(25)22-19(24)13-23-11-5-6-17(23)16-12-15(26-3)7-8-18(16)27-4/h7-8,12,14,17H,5-6,9-11,13H2,1-4H3,(H2,21,22,24,25)/t17-/m0/s1.
What are the key properties of 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 8833361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).