N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide

C13H17NO4 — CID 166848660

IUPACN-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide
SMILESCCCOc1cc2c(cc1N(C)C=O)OCCO2
InChIInChI=1S/C13H17NO4/c1-3-4-16-11-8-13-12(17-5-6-18-13)7-10(11)14(2)9-15/h7-9H,3-6H2,1-2H3
InChIKeyMGYTWJLBMACHAA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.84
Rot. Bonds5

About N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide

N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide (PubChem CID 166848660) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide
PubChem CID166848660
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide
SMILESCCCOc1cc2c(cc1N(C)C=O)OCCO2
InChIInChI=1S/C13H17NO4/c1-3-4-16-11-8-13-12(17-5-6-18-13)7-10(11)14(2)9-15/h7-9H,3-6H2,1-2H3
InChIKeyMGYTWJLBMACHAA-UHFFFAOYSA-N
XLogP1.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide?
The IUPAC name of N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide (CID 166848660) is N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide.
What is the SMILES notation for N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide?
The canonical SMILES for N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide is CCCOc1cc2c(cc1N(C)C=O)OCCO2.
What is the InChIKey of N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide?
The InChIKey is MGYTWJLBMACHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-4-16-11-8-13-12(17-5-6-18-13)7-10(11)14(2)9-15/h7-9H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide?
N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide has a molecular weight of 251.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-propoxy-2,3-dihydro-1,4-benzodioxin-7-yl)formamide is sourced from PubChem (CID 166848660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).