N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide

C20H29N3O2 — CID 87014367

IUPACN-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide
SMILESCCOc1ccc(C2CCCN2CC(=O)N(CC)CC(C)C#N)cc1
InChIInChI=1S/C20H29N3O2/c1-4-22(14-16(3)13-21)20(24)15-23-12-6-7-19(23)17-8-10-18(11-9-17)25-5-2/h8-11,16,19H,4-7,12,14-15H2,1-3H3
InChIKeyWCSHTTURJGULOA-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.23
Rot. Bonds8

About N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide

N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide (PubChem CID 87014367) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide
PubChem CID87014367
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide
SMILESCCOc1ccc(C2CCCN2CC(=O)N(CC)CC(C)C#N)cc1
InChIInChI=1S/C20H29N3O2/c1-4-22(14-16(3)13-21)20(24)15-23-12-6-7-19(23)17-8-10-18(11-9-17)25-5-2/h8-11,16,19H,4-7,12,14-15H2,1-3H3
InChIKeyWCSHTTURJGULOA-UHFFFAOYSA-N
XLogP3.23
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 39973526
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 47014126
N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 47010684
N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 174948159
N,N-bis(2-cyanoethyl)-2-[2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 60570471
ethyl 1-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47010681
2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 98483129
N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899386
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110898902
2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 34775563
1-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750844
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide?
The IUPAC name of N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide (CID 87014367) is N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide?
The canonical SMILES for N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide is CCOc1ccc(C2CCCN2CC(=O)N(CC)CC(C)C#N)cc1.
What is the InChIKey of N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide?
The InChIKey is WCSHTTURJGULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-22(14-16(3)13-21)20(24)15-23-12-6-7-19(23)17-8-10-18(11-9-17)25-5-2/h8-11,16,19H,4-7,12,14-15H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide?
N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide has a molecular weight of 343.47 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 87014367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).