1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide

C19H17N3O5 — CID 90512981

IUPAC1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc1
InChIInChI=1S/C19H17N3O5/c20-17(23)11-1-4-14(5-2-11)21-18(24)13-8-22(9-13)19(25)12-3-6-15-16(7-12)27-10-26-15/h1-7,13H,8-10H2,(H2,20,23)(H,21,24)
InChIKeyFBMRPJIURGXYPV-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.22
Rot. Bonds4

About 1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide

1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide (PubChem CID 90512981) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide
PubChem CID90512981
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc1
InChIInChI=1S/C19H17N3O5/c20-17(23)11-1-4-14(5-2-11)21-18(24)13-8-22(9-13)19(25)12-3-6-15-16(7-12)27-10-26-15/h1-7,13H,8-10H2,(H2,20,23)(H,21,24)
InChIKeyFBMRPJIURGXYPV-UHFFFAOYSA-N
XLogP1.22
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxole-5-carbonyl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90512866
1-(1,3-benzodioxole-5-carbonyl)-N-(2-phenylphenyl)azetidine-3-carboxamide
CID 90512838
1-(1,3-benzodioxole-5-carbonyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azetidine-3-carboxamide
CID 90512835
1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
1-(1,3-benzodioxole-5-carbonyl)-N-(cyclohexylmethyl)azetidine-3-carboxamide
CID 90512909
N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511610
1-(1,3-benzodioxole-5-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90512913
(3R)-N-(4-carbamoylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 7926395
1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide
CID 71785385
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693314
1-(1,3-benzodioxole-5-carbonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71785433
1-(1,3-benzodioxole-5-carbonyl)-N-(3-phenylpropyl)azetidine-3-carboxamide
CID 90512779

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide (CID 90512981) is 1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide is NC(=O)c1ccc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc1.
What is the InChIKey of 1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide?
The InChIKey is FBMRPJIURGXYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c20-17(23)11-1-4-14(5-2-11)21-18(24)13-8-22(9-13)19(25)12-3-6-15-16(7-12)27-10-26-15/h1-7,13H,8-10H2,(H2,20,23)(H,21,24).
What are the key properties of 1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide?
1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90512981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).