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

C14H18N2O4 — CID 66236465

IUPAC4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H18N2O4/c15-11-8-18-7-10(11)14(17)16-6-9-1-2-12-13(5-9)20-4-3-19-12/h1-2,5,10-11H,3-4,6-8,15H2,(H,16,17)
InChIKeyOPJDQZAUIBUJLR-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.05
Rot. Bonds3

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

4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide (PubChem CID 66236465) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide
PubChem CID66236465
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H18N2O4/c15-11-8-18-7-10(11)14(17)16-6-9-1-2-12-13(5-9)20-4-3-19-12/h1-2,5,10-11H,3-4,6-8,15H2,(H,16,17)
InChIKeyOPJDQZAUIBUJLR-UHFFFAOYSA-N
XLogP0.05
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208078
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide
CID 66250662
methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate
CID 66237277
4-amino-N-[(3-ethoxyphenyl)methyl]oxolane-3-carboxamide
CID 66239651
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 62232279
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopropanamide
CID 115175589
3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylurea
CID 66502369
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 115179287
4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide
CID 66238076
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136136
N-(1,3-benzodioxol-5-ylmethyl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133289

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide (CID 66236465) is 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide is NC1COCC1C(=O)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide?
The InChIKey is OPJDQZAUIBUJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-11-8-18-7-10(11)14(17)16-6-9-1-2-12-13(5-9)20-4-3-19-12/h1-2,5,10-11H,3-4,6-8,15H2,(H,16,17).
What are the key properties of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide?
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.05, 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)oxolane-3-carboxamide is sourced from PubChem (CID 66236465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).