N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide

C11H12N2O4 — CID 82083552

IUPACN-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H12N2O4/c12-10(14)3-4-13-11(15)7-1-2-8-9(5-7)17-6-16-8/h1-2,5H,3-4,6H2,(H2,12,14)(H,13,15)
InChIKeyFPCXFCCFQKLWHW-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.02
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide

N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 82083552) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
PubChem CID82083552
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC NameN-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H12N2O4/c12-10(14)3-4-13-11(15)7-1-2-8-9(5-7)17-6-16-8/h1-2,5H,3-4,6H2,(H2,12,14)(H,13,15)
InChIKeyFPCXFCCFQKLWHW-UHFFFAOYSA-N
XLogP0.02
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-[2-(4-oxopentanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542975
N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide
CID 47336935
2-amino-4-(1,3-benzodioxole-5-carbonylamino)butanoic acid
CID 70945719
N-[2-(3-methoxypropanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542767
N-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 4789099
N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
CID 110463600
N-pent-4-ynyl-1,3-benzodioxole-5-carboxamide
CID 103708735
N-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 138041836
5-amino-2-(1,3-benzodioxole-5-carbonylamino)-5-oxopentanoic acid
CID 43175930
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,3-benzodioxole-5-carboxamide
CID 4106105

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide (CID 82083552) is N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide is NC(=O)CCNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is FPCXFCCFQKLWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c12-10(14)3-4-13-11(15)7-1-2-8-9(5-7)17-6-16-8/h1-2,5H,3-4,6H2,(H2,12,14)(H,13,15).
What are the key properties of N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide?
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 236.23 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 82083552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).