N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide

C15H21NO3 — CID 47097422

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO3/c1-3-12(4-2)15(17)16-10-11-5-6-13-14(9-11)19-8-7-18-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyKHFLKBDXUXZXJE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.51
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide (PubChem CID 47097422) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
PubChem CID47097422
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO3/c1-3-12(4-2)15(17)16-10-11-5-6-13-14(9-11)19-8-7-18-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyKHFLKBDXUXZXJE-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide 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

2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide
CID 65229122
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide
CID 30476254
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(methylamino)propanamide
CID 55096613
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 115179287
2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]butanoic acid
CID 115249892
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopropanamide
CID 115175589
2-(butan-2-ylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 61249980
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide
CID 42905702
(2R)-N-[(2R)-butan-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)propanamide
CID 95164698
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 62232279
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloropropanamide
CID 2435381

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide (CID 47097422) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide is CCC(CC)C(=O)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide?
The InChIKey is KHFLKBDXUXZXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12(4-2)15(17)16-10-11-5-6-13-14(9-11)19-8-7-18-13/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 2.51, 5 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-ylmethyl)-2-ethylbutanamide is sourced from PubChem (CID 47097422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).