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

C23H26N2O4 — CID 25496038

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H26N2O4/c1-2-24(16-18-7-10-20-21(14-18)29-13-12-28-20)23(27)15-17-5-8-19(9-6-17)25-11-3-4-22(25)26/h5-10,14H,2-4,11-13,15-16H2,1H3
InChIKeyCOYXSGYFSZIHKZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.18
Rot. Bonds6

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

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 25496038) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID25496038
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H26N2O4/c1-2-24(16-18-7-10-20-21(14-18)29-13-12-28-20)23(27)15-17-5-8-19(9-6-17)25-11-3-4-22(25)26/h5-10,14H,2-4,11-13,15-16H2,1H3
InChIKeyCOYXSGYFSZIHKZ-UHFFFAOYSA-N
XLogP3.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 78821691
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18116240
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51230339
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 86978444
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110312238
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide
CID 26072038
N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821274
N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 86976342
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51110537
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 25315310
N-benzyl-N-ethyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110295271

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 25496038) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is COYXSGYFSZIHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-24(16-18-7-10-20-21(14-18)29-13-12-28-20)23(27)15-17-5-8-19(9-6-17)25-11-3-4-22(25)26/h5-10,14H,2-4,11-13,15-16H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 394.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 25496038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).