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

C19H21NO3 — CID 51866041

IUPAC(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-6-16(14-7-4-3-5-8-14)19(21)20-15-9-10-17-18(13-15)23-12-11-22-17/h3-5,7-10,13,16H,2,6,11-12H2,1H3,(H,20,21)
InChIKeyKMNVHGBKKYGSDP-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.98
Rot. Bonds5

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

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide (PubChem CID 51866041) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
PubChem CID51866041
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-6-16(14-7-4-3-5-8-14)19(21)20-15-9-10-17-18(13-15)23-12-11-22-17/h3-5,7-10,13,16H,2,6,11-12H2,1H3,(H,20,21)
InChIKeyKMNVHGBKKYGSDP-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
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-yl)-2,2-diphenylacetamide
CID 872269
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-2-phenylacetamide
CID 1076352
(2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide
CID 7311214
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopentan-2-yl]-diethylazanium
CID 7311213
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopentan-2-yl]-diethylazanium chloride
CID 21228730
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
CID 2948413
(2S)-2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide
CID 94233312
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
(2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide
CID 9145292
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-phenylpentanamide
CID 18133869

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide?
The IUPAC name of (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide (CID 51866041) is (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide.
What is the SMILES notation for (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide?
The canonical SMILES for (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide is CCCC(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide?
The InChIKey is KMNVHGBKKYGSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-6-16(14-7-4-3-5-8-14)19(21)20-15-9-10-17-18(13-15)23-12-11-22-17/h3-5,7-10,13,16H,2,6,11-12H2,1H3,(H,20,21).
What are the key properties of (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide?
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide has a molecular weight of 311.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide is sourced from PubChem (CID 51866041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).