4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide

C15H20N2O4 — CID 66250662

IUPAC4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NCc2ccc3c(c2)OCCO3)COCC1N
InChIInChI=1S/C15H20N2O4/c1-15(9-19-8-13(15)16)14(18)17-7-10-2-3-11-12(6-10)21-5-4-20-11/h2-3,6,13H,4-5,7-9,16H2,1H3,(H,17,18)
InChIKeyBHOOSQUVLNIMHH-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.44
Rot. Bonds3

About 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide

4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide (PubChem CID 66250662) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide
PubChem CID66250662
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NCc2ccc3c(c2)OCCO3)COCC1N
InChIInChI=1S/C15H20N2O4/c1-15(9-19-8-13(15)16)14(18)17-7-10-2-3-11-12(6-10)21-5-4-20-11/h2-3,6,13H,4-5,7-9,16H2,1H3,(H,17,18)
InChIKeyBHOOSQUVLNIMHH-UHFFFAOYSA-N
XLogP0.44
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 66250428
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide
CID 66236465
4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide
CID 106416741
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopropanamide
CID 115175589
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63141698
2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide
CID 65229122
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-hydroxyethyl)urea
CID 71894166
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208078
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 62232279
3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylurea
CID 66502369

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide (CID 66250662) is 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide is CC1(C(=O)NCc2ccc3c(c2)OCCO3)COCC1N.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide?
The InChIKey is BHOOSQUVLNIMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(9-19-8-13(15)16)14(18)17-7-10-2-3-11-12(6-10)21-5-4-20-11/h2-3,6,13H,4-5,7-9,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).