N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C15H17NO4 — CID 126792409

IUPACN-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCc2cccc3c2OCO3)CCCO1
InChIInChI=1S/C15H17NO4/c1-10-12(5-3-7-18-10)15(17)16-8-11-4-2-6-13-14(11)20-9-19-13/h2,4,6H,3,5,7-9H2,1H3,(H,16,17)
InChIKeyVSDCJWYNHHYWKH-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.12
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 126792409) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID126792409
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCc2cccc3c2OCO3)CCCO1
InChIInChI=1S/C15H17NO4/c1-10-12(5-3-7-18-10)15(17)16-8-11-4-2-6-13-14(11)20-9-19-13/h2,4,6H,3,5,7-9H2,1H3,(H,16,17)
InChIKeyVSDCJWYNHHYWKH-UHFFFAOYSA-N
XLogP2.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80711178
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CID 61149994
N-(1,3-benzodioxol-4-ylmethyl)-3-bromo-4-methylbenzamide
CID 79466746
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
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N-(1,3-benzodioxol-4-ylmethyl)-2-(methylamino)propanamide
CID 62638983
3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide
CID 61212849
N-(1,3-benzodioxol-4-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605263
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide
CID 61212288
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)butanamide
CID 79023389
2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide
CID 76895703

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 126792409) is N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NCc2cccc3c2OCO3)CCCO1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is VSDCJWYNHHYWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-12(5-3-7-18-10)15(17)16-8-11-4-2-6-13-14(11)20-9-19-13/h2,4,6H,3,5,7-9H2,1H3,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 126792409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).