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

C20H27N3O3 — CID 8833510

IUPACN-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC2(C#N)CCCC2)c1
InChIInChI=1S/C20H27N3O3/c1-25-15-7-8-18(26-2)16(12-15)17-6-5-11-23(17)13-19(24)22-20(14-21)9-3-4-10-20/h7-8,12,17H,3-6,9-11,13H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyMFHZEUDMXVIHDX-KRWDZBQOSA-N
MW357.45 g/mol
LogP2.79
Rot. Bonds6

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

N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 8833510) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID8833510
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC2(C#N)CCCC2)c1
InChIInChI=1S/C20H27N3O3/c1-25-15-7-8-18(26-2)16(12-15)17-6-5-11-23(17)13-19(24)22-20(14-21)9-3-4-10-20/h7-8,12,17H,3-6,9-11,13H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyMFHZEUDMXVIHDX-KRWDZBQOSA-N
XLogP2.79
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
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-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 8833875
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-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 51226739
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615040
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55409196
N-(benzylcarbamoyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26648081
N-(2,6-diethylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8832055
N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 51339474

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide (CID 8833510) is N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide is COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC2(C#N)CCCC2)c1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is MFHZEUDMXVIHDX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-25-15-7-8-18(26-2)16(12-15)17-6-5-11-23(17)13-19(24)22-20(14-21)9-3-4-10-20/h7-8,12,17H,3-6,9-11,13H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 8833510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).