N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide

C16H17N3O4 — CID 39920226

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cccnc1=O
InChIInChI=1S/C16H17N3O4/c1-18(15(20)11-19-6-2-5-17-16(19)21)10-12-3-4-13-14(9-12)23-8-7-22-13/h2-6,9H,7-8,10-11H2,1H3
InChIKeyNPYYLRKUZAQXNF-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.67
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 39920226) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID39920226
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cccnc1=O
InChIInChI=1S/C16H17N3O4/c1-18(15(20)11-19-6-2-5-17-16(19)21)10-12-3-4-13-14(9-12)23-8-7-22-13/h2-6,9H,7-8,10-11H2,1H3
InChIKeyNPYYLRKUZAQXNF-UHFFFAOYSA-N
XLogP0.67
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide (CID 39920226) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cccnc1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is NPYYLRKUZAQXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-18(15(20)11-19-6-2-5-17-16(19)21)10-12-3-4-13-14(9-12)23-8-7-22-13/h2-6,9H,7-8,10-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 39920226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).