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

C14H19NO3 — CID 18121372

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO3/c1-10(2)15-14(16)6-4-11-3-5-12-13(9-11)18-8-7-17-12/h3,5,9-10H,4,6-8H2,1-2H3,(H,15,16)
InChIKeyFVUFXKFVFXRVNU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.91
Rot. Bonds4

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide (PubChem CID 18121372) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
PubChem CID18121372
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO3/c1-10(2)15-14(16)6-4-11-3-5-12-13(9-11)18-8-7-17-12/h3,5,9-10H,4,6-8H2,1-2H3,(H,15,16)
InChIKeyFVUFXKFVFXRVNU-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 99132994
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 99132993
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-heptan-2-ylpropanamide
CID 86944078
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide
CID 133185949
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 99132998
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42925134
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 99866264
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 31946505
(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-phenylpropanoylamino)propanoic acid
CID 57222913
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 94064618
2-[(4-chlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 132673304

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide (CID 18121372) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide?
The InChIKey is FVUFXKFVFXRVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)15-14(16)6-4-11-3-5-12-13(9-11)18-8-7-17-12/h3,5,9-10H,4,6-8H2,1-2H3,(H,15,16).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 18121372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).