3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C21H22N2O4 — CID 18166634

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C21H22N2O4/c24-20(10-8-15-7-9-18-19(14-15)27-13-12-26-18)22-16-4-1-2-5-17(16)23-11-3-6-21(23)25/h1-2,4-5,7,9,14H,3,6,8,10-13H2,(H,22,24)
InChIKeyVOKYRMXXQRHYTN-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.16
Rot. Bonds5

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 18166634) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID18166634
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C21H22N2O4/c24-20(10-8-15-7-9-18-19(14-15)27-13-12-26-18)22-16-4-1-2-5-17(16)23-11-3-6-21(23)25/h1-2,4-5,7,9,14H,3,6,8,10-13H2,(H,22,24)
InChIKeyVOKYRMXXQRHYTN-UHFFFAOYSA-N
XLogP3.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 55509816
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542953
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 43036607
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate
CID 42124134
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26955403
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 107909776
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylsulfanylpropanamide
CID 26955397
3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 18121767
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18189844
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
CID 4235872

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 18166634) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide is O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is VOKYRMXXQRHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-20(10-8-15-7-9-18-19(14-15)27-13-12-26-18)22-16-4-1-2-5-17(16)23-11-3-6-21(23)25/h1-2,4-5,7,9,14H,3,6,8,10-13H2,(H,22,24).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 366.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 18166634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).