N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide

C21H23N3O3 — CID 8835101

IUPACN-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)c(OC)c1
InChIInChI=1S/C21H23N3O3/c1-26-17-8-9-18(20(12-17)27-2)19-7-4-10-24(19)14-21(25)23-16-6-3-5-15(11-16)13-22/h3,5-6,8-9,11-12,19H,4,7,10,14H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyBBRNROPGVLEDDK-IBGZPJMESA-N
MW365.43 g/mol
LogP3.35
Rot. Bonds6

About N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide

N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 8835101) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID8835101
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)c(OC)c1
InChIInChI=1S/C21H23N3O3/c1-26-17-8-9-18(20(12-17)27-2)19-7-4-10-24(19)14-21(25)23-16-6-3-5-15(11-16)13-22/h3,5-6,8-9,11-12,19H,4,7,10,14H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyBBRNROPGVLEDDK-IBGZPJMESA-N
XLogP3.35
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8835103
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 8857144
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 8835105
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55409196
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8831486
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26648669
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615040
methyl 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 8835199
N-(2,6-diethylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8832055
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 11934251

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide (CID 8835101) is N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide is COc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)c(OC)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is BBRNROPGVLEDDK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-17-8-9-18(20(12-17)27-2)19-7-4-10-24(19)14-21(25)23-16-6-3-5-15(11-16)13-22/h3,5-6,8-9,11-12,19H,4,7,10,14H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 8835101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).