(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide

C19H21NO3 — CID 8700986

IUPAC(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
SMILESCC[C@@H](C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-13(2)18(14-7-5-4-6-8-14)19(21)20-15-9-10-16-17(11-15)23-12-22-16/h4-11,13,18H,3,12H2,1-2H3,(H,20,21)/t13-,18-/m1/s1
InChIKeySZLWUGBJYUFLRX-FZKQIMNGSA-N
MW311.38 g/mol
LogP4.18
Rot. Bonds5

About (2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide

(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide (PubChem CID 8700986) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound Name(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
PubChem CID8700986
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
SMILESCC[C@@H](C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-13(2)18(14-7-5-4-6-8-14)19(21)20-15-9-10-16-17(11-15)23-12-22-16/h4-11,13,18H,3,12H2,1-2H3,(H,20,21)/t13-,18-/m1/s1
InChIKeySZLWUGBJYUFLRX-FZKQIMNGSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
CID 2932623
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3,3-diphenylpropanoate
CID 7795335
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821639
(2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
CID 2373139
N-(1,3-benzodioxol-5-yl)-2-phenylsulfanylbutanamide
CID 23886320
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)butanamide
CID 79025249
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874733
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
CID 95310454
(2R)-N-(1,3-benzodioxol-5-yl)-2-(dibenzylamino)-2-phenylacetamide
CID 94233315

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide?
The IUPAC name of (2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide (CID 8700986) is (2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide.
What is the SMILES notation for (2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide?
The canonical SMILES for (2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide is CC[C@@H](C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of (2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide?
The InChIKey is SZLWUGBJYUFLRX-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-13(2)18(14-7-5-4-6-8-14)19(21)20-15-9-10-16-17(11-15)23-12-22-16/h4-11,13,18H,3,12H2,1-2H3,(H,20,21)/t13-,18-/m1/s1.
What are the key properties of (2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide?
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide has a molecular weight of 311.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 8700986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).