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

C19H21NO3 — CID 30476254

IUPAC(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-16(15-6-4-3-5-7-15)19(21)20-13-14-8-9-17-18(12-14)23-11-10-22-17/h3-9,12,16H,2,10-11,13H2,1H3,(H,20,21)
InChIKeyJNJKMMWIUCJEBP-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.27
Rot. Bonds5

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

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide (PubChem CID 30476254) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide
PubChem CID30476254
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-16(15-6-4-3-5-7-15)19(21)20-13-14-8-9-17-18(12-14)23-11-10-22-17/h3-9,12,16H,2,10-11,13H2,1H3,(H,20,21)
InChIKeyJNJKMMWIUCJEBP-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide
CID 42905702
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 7811277
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 115179287
2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide
CID 65229122
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-phenylbutanamide
CID 55467050
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(methylamino)propanamide
CID 55096613
(2S)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,2-trifluoroethyl]-2-phenylbutanamide
CID 8891323
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025
N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide
CID 46592660
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-phenylbutan-1-amine
CID 17156616
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopropanamide
CID 115175589

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide (CID 30476254) is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide is CCC(C(=O)NCc1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide?
The InChIKey is JNJKMMWIUCJEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-16(15-6-4-3-5-7-15)19(21)20-13-14-8-9-17-18(12-14)23-11-10-22-17/h3-9,12,16H,2,10-11,13H2,1H3,(H,20,21).
What are the key properties of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide?
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide has a molecular weight of 311.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide is sourced from PubChem (CID 30476254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).