4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide

C22H24N2O4 — CID 119075095

IUPAC4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide
SMILESCCN1CC(CN(C)C(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)CC1=O
InChIInChI=1S/C22H24N2O4/c1-3-24-13-15(10-21(24)25)12-23(2)22(26)17-6-4-16(5-7-17)18-8-9-19-20(11-18)28-14-27-19/h4-9,11,15H,3,10,12-14H2,1-2H3
InChIKeyYTKTZOOFTHGWDG-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.02
Rot. Bonds5

About 4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide

4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide (PubChem CID 119075095) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide
PubChem CID119075095
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide
SMILESCCN1CC(CN(C)C(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)CC1=O
InChIInChI=1S/C22H24N2O4/c1-3-24-13-15(10-21(24)25)12-23(2)22(26)17-6-4-16(5-7-17)18-8-9-19-20(11-18)28-14-27-19/h4-9,11,15H,3,10,12-14H2,1-2H3
InChIKeyYTKTZOOFTHGWDG-UHFFFAOYSA-N
XLogP3.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-N-methylbenzamide
CID 118778970
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 122149889
4-(1,3-benzodioxol-5-yl)-N,N-dibutylbenzamide
CID 90681751
methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126449126
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512586
N-(chloromethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 10331338
N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39245580
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51190222
1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 97435504
N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119619009
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 71642366

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide (CID 119075095) is 4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide is CCN1CC(CN(C)C(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)CC1=O.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide?
The InChIKey is YTKTZOOFTHGWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-24-13-15(10-21(24)25)12-23(2)22(26)17-6-4-16(5-7-17)18-8-9-19-20(11-18)28-14-27-19/h4-9,11,15H,3,10,12-14H2,1-2H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide?
4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide has a molecular weight of 380.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 119075095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).