N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide

C14H19NO3 — CID 2947028

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO3/c1-3-4-10(2)14(16)15-11-5-6-12-13(9-11)18-8-7-17-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyRWVDXCQFPYWMPK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.83
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide (PubChem CID 2947028) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide
PubChem CID2947028
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO3/c1-3-4-10(2)14(16)15-11-5-6-12-13(9-11)18-8-7-17-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyRWVDXCQFPYWMPK-UHFFFAOYSA-N
XLogP2.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide 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

Diethofencarb
CID 91742
Amg-9810
CID 680502
3'-Ethoxyacetanilide
CID 11570
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 886009
2-cyano-N-(3,4-dimethoxyphenyl)acetamide
CID 3788216
(2,3-Dihydro-1,4-benzodioxin-6-yl)urea
CID 3837306
N-(3,4-Dimethoxyphenyl)acetamide
CID 244160
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 2176119

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide (CID 2947028) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide?
The InChIKey is RWVDXCQFPYWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-4-10(2)14(16)15-11-5-6-12-13(9-11)18-8-7-17-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide has a molecular weight of 249.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpentanamide is sourced from PubChem (CID 2947028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).