(2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide

C19H21NO4 — CID 92647011

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21NO4/c1-4-15(24-16-7-5-6-12(2)13(16)3)19(21)20-14-8-9-17-18(10-14)23-11-22-17/h5-10,15H,4,11H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyKCINDAOZSFDMPK-OAHLLOKOSA-N
MW327.38 g/mol
LogP3.83
Rot. Bonds5

About (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 92647011) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide
PubChem CID92647011
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21NO4/c1-4-15(24-16-7-5-6-12(2)13(16)3)19(21)20-14-8-9-17-18(10-14)23-11-22-17/h5-10,15H,4,11H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyKCINDAOZSFDMPK-OAHLLOKOSA-N
XLogP3.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)propanamide
CID 30384284
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28564509
N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
CID 2932623
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885352
(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2,3-dimethylphenoxy)butanamide
CID 28633022
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide (CID 92647011) is (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide is CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is KCINDAOZSFDMPK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-15(24-16-7-5-6-12(2)13(16)3)19(21)20-14-8-9-17-18(10-14)23-11-22-17/h5-10,15H,4,11H2,1-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 327.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 92647011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).