2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone

C23H28N2O3 — CID 126246659

IUPAC2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCC[C@H](C)c1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-18(2)20-6-8-21(9-7-20)24-16-19-4-10-22(11-5-19)28-17-23(26)25-12-14-27-15-13-25/h4-11,16,18H,3,12-15,17H2,1-2H3/b24-16+/t18-/m0/s1
InChIKeyPYZBHDYVBROLCN-MRSJDWDVSA-N
MW380.49 g/mol
LogP4.19
Rot. Bonds7

About 2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 126246659) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID126246659
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCC[C@H](C)c1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-18(2)20-6-8-21(9-7-20)24-16-19-4-10-22(11-5-19)28-17-23(26)25-12-14-27-15-13-25/h4-11,16,18H,3,12-15,17H2,1-2H3/b24-16+/t18-/m0/s1
InChIKeyPYZBHDYVBROLCN-MRSJDWDVSA-N
XLogP4.19
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5173161
2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246748
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
CID 126245308
1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone
CID 126243299
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126253048
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126243345
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
2-[2-bromo-4-[(4-tert-butylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126375425
(2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 1104562

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone (CID 126246659) is 2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone is CC[C@H](C)c1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is PYZBHDYVBROLCN-MRSJDWDVSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-18(2)20-6-8-21(9-7-20)24-16-19-4-10-22(11-5-19)28-17-23(26)25-12-14-27-15-13-25/h4-11,16,18H,3,12-15,17H2,1-2H3/b24-16+/t18-/m0/s1.
What are the key properties of 2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 380.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 126246659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).