N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine

C22H25NO4 — CID 6518385

IUPACN-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine
SMILESCOc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CON=C(C)C)cc1
InChIInChI=1S/C22H25NO4/c1-16(2)23-25-15-22-21(26-19-11-9-18(24-3)10-12-19)14-13-20(27-22)17-7-5-4-6-8-17/h4-14,20-22H,15H2,1-3H3/t20-,21-,22+/m0/s1
InChIKeyMKKUVBZPOCBZTH-FDFHNCONSA-N
MW367.45 g/mol
LogP4.55
Rot. Bonds7

About N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine

N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine (PubChem CID 6518385) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine.

Molecular Properties

Compound NameN-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine
PubChem CID6518385
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine
SMILESCOc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CON=C(C)C)cc1
InChIInChI=1S/C22H25NO4/c1-16(2)23-25-15-22-21(26-19-11-9-18(24-3)10-12-19)14-13-20(27-22)17-7-5-4-6-8-17/h4-14,20-22H,15H2,1-3H3/t20-,21-,22+/m0/s1
InChIKeyMKKUVBZPOCBZTH-FDFHNCONSA-N
XLogP4.55
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine?
The IUPAC name of N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine (CID 6518385) is N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine.
What is the SMILES notation for N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine?
The canonical SMILES for N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine is COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CON=C(C)C)cc1.
What is the InChIKey of N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine?
The InChIKey is MKKUVBZPOCBZTH-FDFHNCONSA-N. The full InChI is InChI=1S/C22H25NO4/c1-16(2)23-25-15-22-21(26-19-11-9-18(24-3)10-12-19)14-13-20(27-22)17-7-5-4-6-8-17/h4-14,20-22H,15H2,1-3H3/t20-,21-,22+/m0/s1.
What are the key properties of N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine?
N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine has a molecular weight of 367.45 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]propan-2-imine is sourced from PubChem (CID 6518385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).