(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide

C21H24N2O4 — CID 7702587

IUPAC(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide
SMILESCC(C)c1ccc(/C=N\O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C21H24N2O4/c1-14(2)17-6-4-16(5-7-17)13-22-27-15(3)21(24)23-18-8-9-19-20(12-18)26-11-10-25-19/h4-9,12-15H,10-11H2,1-3H3,(H,23,24)/b22-13-/t15-/m1/s1
InChIKeyZRIAGLGNQJFSHA-VUZLNAKASA-N
MW368.43 g/mol
LogP3.96
Rot. Bonds6

About (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide (PubChem CID 7702587) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide
PubChem CID7702587
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide
SMILESCC(C)c1ccc(/C=N\O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C21H24N2O4/c1-14(2)17-6-4-16(5-7-17)13-22-27-15(3)21(24)23-18-8-9-19-20(12-18)26-11-10-25-19/h4-9,12-15H,10-11H2,1-3H3,(H,23,24)/b22-13-/t15-/m1/s1
InChIKeyZRIAGLGNQJFSHA-VUZLNAKASA-N
XLogP3.96
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704740
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703583
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 7623211
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7550111
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7550113
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]iminomethyl]benzoate
CID 2084780
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486152
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 7621701
N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 24511843
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
CID 7644163

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide (CID 7702587) is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide is CC(C)c1ccc(/C=N\O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide?
The InChIKey is ZRIAGLGNQJFSHA-VUZLNAKASA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)17-6-4-16(5-7-17)13-22-27-15(3)21(24)23-18-8-9-19-20(12-18)26-11-10-25-19/h4-9,12-15H,10-11H2,1-3H3,(H,23,24)/b22-13-/t15-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide?
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide has a molecular weight of 368.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 7702587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).