N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

C24H29N3O2 — CID 24613826

IUPACN-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc(C2CCCN2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C24H29N3O2/c1-18-13-19(2)15-21(14-18)27(12-6-10-25)24(28)17-26-11-5-9-23(26)20-7-4-8-22(16-20)29-3/h4,7-8,13-16,23H,5-6,9,11-12,17H2,1-3H3
InChIKeyZTAGJEQZSHNHGG-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.40
Rot. Bonds7

About N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 24613826) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID24613826
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc(C2CCCN2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C24H29N3O2/c1-18-13-19(2)15-21(14-18)27(12-6-10-25)24(28)17-26-11-5-9-23(26)20-7-4-8-22(16-20)29-3/h4,7-8,13-16,23H,5-6,9,11-12,17H2,1-3H3
InChIKeyZTAGJEQZSHNHGG-UHFFFAOYSA-N
XLogP4.40
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-N-phenylacetamide
CID 51728114
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide
CID 134060178
N,N-bis(2-cyanoethyl)-2-[2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 60570471
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100849850
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
ethyl (2S)-1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-2-carboxylate
CID 124822735
ethyl (2R)-1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-2-carboxylate
CID 124822736
methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 51470159

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (CID 24613826) is N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is COc1cccc(C2CCCN2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is ZTAGJEQZSHNHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-13-19(2)15-21(14-18)27(12-6-10-25)24(28)17-26-11-5-9-23(26)20-7-4-8-22(16-20)29-3/h4,7-8,13-16,23H,5-6,9,11-12,17H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 24613826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).