N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C14H19NO3 — CID 121451464

IUPACN-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCC(C)N(C)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO3/c1-4-10(2)15(3)14(16)11-5-6-12-13(9-11)18-8-7-17-12/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyAWZMLYTYLWEJEP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.33
Rot. Bonds3

About N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 121451464) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID121451464
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCC(C)N(C)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO3/c1-4-10(2)15(3)14(16)11-5-6-12-13(9-11)18-8-7-17-12/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyAWZMLYTYLWEJEP-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917
N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 95625359
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 56805506
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-1-one
CID 114873952
N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 115673368
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxybutan-1-one
CID 103453009
ethyl (2S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-oxopropanoate
CID 97035578
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86925789
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetamide
CID 82122108
N-butan-2-yl-4-hydroxy-N-methylbenzamide
CID 43273177
(2R)-2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
CID 7353989
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4668559

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 121451464) is N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CCC(C)N(C)C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is AWZMLYTYLWEJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-10(2)15(3)14(16)11-5-6-12-13(9-11)18-8-7-17-12/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 121451464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).