N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide

C18H18N2O5 — CID 3563852

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide
SMILESO=C(C=NOCC(O)c1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O5/c21-15(13-4-2-1-3-5-13)12-25-19-11-18(22)20-14-6-7-16-17(10-14)24-9-8-23-16/h1-7,10-11,15,21H,8-9,12H2,(H,20,22)
InChIKeyHMFFULQKFBMUPH-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.13
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide (PubChem CID 3563852) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide
PubChem CID3563852
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide
SMILESO=C(C=NOCC(O)c1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O5/c21-15(13-4-2-1-3-5-13)12-25-19-11-18(22)20-14-6-7-16-17(10-14)24-9-8-23-16/h1-7,10-11,15,21H,8-9,12H2,(H,20,22)
InChIKeyHMFFULQKFBMUPH-UHFFFAOYSA-N
XLogP2.13
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R)-2-hydroxy-2-phenylethoxy]iminoacetamide
CID 7859175
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-enamide
CID 732540
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665884
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-2-phenylacetamide
CID 1076352
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
CID 2948413
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
(2S)-2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide
CID 94233312
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]iminomethyl]benzoate
CID 2084780
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethoxy]acetic acid
CID 61328984
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 7044137

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide (CID 3563852) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide is O=C(C=NOCC(O)c1ccccc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide?
The InChIKey is HMFFULQKFBMUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-15(13-4-2-1-3-5-13)12-25-19-11-18(22)20-14-6-7-16-17(10-14)24-9-8-23-16/h1-7,10-11,15,21H,8-9,12H2,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide has a molecular weight of 342.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-2-phenylethoxy)iminoacetamide is sourced from PubChem (CID 3563852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).