N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C14H19NO3 — CID 52773193

IUPACN-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cccc2c1OCCO2
InChIInChI=1S/C14H19NO3/c1-3-4-8-15(2)14(16)11-6-5-7-12-13(11)18-10-9-17-12/h5-7H,3-4,8-10H2,1-2H3
InChIKeyYZUZQQASJBPAIW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.33
Rot. Bonds4

About N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 52773193) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID52773193
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cccc2c1OCCO2
InChIInChI=1S/C14H19NO3/c1-3-4-8-15(2)14(16)11-6-5-7-12-13(11)18-10-9-17-12/h5-7H,3-4,8-10H2,1-2H3
InChIKeyYZUZQQASJBPAIW-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3-methylbutyl)-1,3-benzodioxole-4-carboxamide
CID 87020392
3-[1,3-benzodioxole-4-carbonyl(methyl)amino]propanoic acid
CID 110834806
propyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
CID 43614674
N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614686
N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60622208
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 64510640
N-[3-(4-chlorophenoxy)propyl]-N-methyl-1,3-benzodioxole-4-carboxamide
CID 55898097
N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60806852
2-[(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)methyl]pentanoic acid
CID 65218612
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90363736
2-formyl-N-heptyl-N-methylbenzamide
CID 144774360
N-[3-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614601

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 52773193) is N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is CCCCN(C)C(=O)c1cccc2c1OCCO2.
What is the InChIKey of N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is YZUZQQASJBPAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-4-8-15(2)14(16)11-6-5-7-12-13(11)18-10-9-17-12/h5-7H,3-4,8-10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 52773193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).