N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide

C20H29N3O3 — CID 11934251

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc([C@H]2CCCN2CC(=O)N[C@@](C)(C#N)C(C)C)c(OC)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)20(3,13-21)22-19(24)12-23-10-6-7-17(23)16-9-8-15(25-4)11-18(16)26-5/h8-9,11,14,17H,6-7,10,12H2,1-5H3,(H,22,24)/t17-,20+/m1/s1
InChIKeyFDCJSIVQTAJILE-XLIONFOSSA-N
MW359.47 g/mol
LogP2.90
Rot. Bonds7

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 11934251) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID11934251
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc([C@H]2CCCN2CC(=O)N[C@@](C)(C#N)C(C)C)c(OC)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)20(3,13-21)22-19(24)12-23-10-6-7-17(23)16-9-8-15(25-4)11-18(16)26-5/h8-9,11,14,17H,6-7,10,12H2,1-5H3,(H,22,24)/t17-,20+/m1/s1
InChIKeyFDCJSIVQTAJILE-XLIONFOSSA-N
XLogP2.90
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176
N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8835101
N-(3-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8835103
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-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8853855
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 55828776
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26546536
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 8835105
ethyl 4-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 46613529
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(2,4-dimethoxyanilino)propanamide
CID 35957798
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide (CID 11934251) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide is COc1ccc([C@H]2CCCN2CC(=O)N[C@@](C)(C#N)C(C)C)c(OC)c1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is FDCJSIVQTAJILE-XLIONFOSSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)20(3,13-21)22-19(24)12-23-10-6-7-17(23)16-9-8-15(25-4)11-18(16)26-5/h8-9,11,14,17H,6-7,10,12H2,1-5H3,(H,22,24)/t17-,20+/m1/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 11934251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).