N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide

C17H22N2O4 — CID 168989867

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide
SMILESCCCN1CC(C(=O)N(C)CC(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C17H22N2O4/c1-3-6-19-8-13(9-19)17(21)18(2)10-14(20)12-4-5-15-16(7-12)23-11-22-15/h4-5,7,13H,3,6,8-11H2,1-2H3
InChIKeyZLIGLQCDFGJDQD-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide

N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide (PubChem CID 168989867) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide
PubChem CID168989867
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide
SMILESCCCN1CC(C(=O)N(C)CC(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C17H22N2O4/c1-3-6-19-8-13(9-19)17(21)18(2)10-14(20)12-4-5-15-16(7-12)23-11-22-15/h4-5,7,13H,3,6,8-11H2,1-2H3
InChIKeyZLIGLQCDFGJDQD-UHFFFAOYSA-N
XLogP1.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-(oxetan-3-yl)azetidine-3-carboxamide
CID 168990054
1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429193
7-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-methylamino]-7-oxoheptanoic acid
CID 168989865
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80580043
1-(1,3-benzodioxol-5-yl)-2-[butyl(cyclopropyl)amino]ethanone
CID 61445343
N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N,1-dimethylazetidine-3-carboxamide;propane
CID 168989795
1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone
CID 103189935
3-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-methylamino]propanenitrile
CID 60678833
N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 110752384
1-(1,3-benzodioxol-5-yl)-4-methylpentane-1,3-dione
CID 63319607
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937
N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N,1-dimethylazetidine-3-carboxamide
CID 168989796

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide (CID 168989867) is N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide is CCCN1CC(C(=O)N(C)CC(=O)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide?
The InChIKey is ZLIGLQCDFGJDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-6-19-8-13(9-19)17(21)18(2)10-14(20)12-4-5-15-16(7-12)23-11-22-15/h4-5,7,13H,3,6,8-11H2,1-2H3.
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide is sourced from PubChem (CID 168989867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).