N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide

C20H21NO4 — CID 125135925

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc([C@@H]2CCOC2)c1
InChIInChI=1S/C20H21NO4/c1-21(11-14-5-6-18-19(9-14)25-13-24-18)20(22)16-4-2-3-15(10-16)17-7-8-23-12-17/h2-6,9-10,17H,7-8,11-13H2,1H3/t17-/m1/s1
InChIKeyJWABTGCJNCSMSA-QGZVFWFLSA-N
MW339.39 g/mol
LogP3.19
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide (PubChem CID 125135925) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide
PubChem CID125135925
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc([C@@H]2CCOC2)c1
InChIInChI=1S/C20H21NO4/c1-21(11-14-5-6-18-19(9-14)25-13-24-18)20(22)16-4-2-3-15(10-16)17-7-8-23-12-17/h2-6,9-10,17H,7-8,11-13H2,1H3/t17-/m1/s1
InChIKeyJWABTGCJNCSMSA-QGZVFWFLSA-N
XLogP3.19
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
CID 51190200
N-(1,3-benzodioxol-5-ylmethyl)-3-(carbamoylamino)-N-methylbenzamide
CID 26444164
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
3-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 18082586
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24548619
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
CID 110753656
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide (CID 125135925) is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc([C@@H]2CCOC2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is JWABTGCJNCSMSA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21NO4/c1-21(11-14-5-6-18-19(9-14)25-13-24-18)20(22)16-4-2-3-15(10-16)17-7-8-23-12-17/h2-6,9-10,17H,7-8,11-13H2,1H3/t17-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 339.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 125135925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).