N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C20H20N2O4 — CID 38449215

IUPACN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC[C@@H]1COc2ccccc2O1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20N2O4/c23-19-6-3-11-22(19)15-9-7-14(8-10-15)20(24)21-12-16-13-25-17-4-1-2-5-18(17)26-16/h1-2,4-5,7-10,16H,3,6,11-13H2,(H,21,24)/t16-/m1/s1
InChIKeyIHJKTIHFRGQZEI-MRXNPFEDSA-N
MW352.39 g/mol
LogP2.38
Rot. Bonds4

About N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 38449215) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID38449215
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC[C@@H]1COc2ccccc2O1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20N2O4/c23-19-6-3-11-22(19)15-9-7-14(8-10-15)20(24)21-12-16-13-25-17-4-1-2-5-18(17)26-16/h1-2,4-5,7-10,16H,3,6,11-13H2,(H,21,24)/t16-/m1/s1
InChIKeyIHJKTIHFRGQZEI-MRXNPFEDSA-N
XLogP2.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 38170145
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 40819163
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 29222983
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
CID 2945038
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide
CID 3131753
4-cyclopentylsulfonyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 94344396
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 38211752
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(ethylsulfonylamino)benzamide
CID 100577677

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 38449215) is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is IHJKTIHFRGQZEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19-6-3-11-22(19)15-9-7-14(8-10-15)20(24)21-12-16-13-25-17-4-1-2-5-18(17)26-16/h1-2,4-5,7-10,16H,3,6,11-13H2,(H,21,24)/t16-/m1/s1.
What are the key properties of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 38449215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).