1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one

C23H29NO4 — CID 86883627

IUPAC1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one
SMILESCOc1cc(C)ccc1OCCC(=O)N1CC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C23H29NO4/c1-17-10-11-19(20(14-17)26-4)27-13-12-22(25)24-15-21(28-16-23(24,2)3)18-8-6-5-7-9-18/h5-11,14,21H,12-13,15-16H2,1-4H3
InChIKeyPYNZCSFPKKYHIW-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.15
Rot. Bonds6

About 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one

1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one (PubChem CID 86883627) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one
PubChem CID86883627
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one
SMILESCOc1cc(C)ccc1OCCC(=O)N1CC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C23H29NO4/c1-17-10-11-19(20(14-17)26-4)27-13-12-22(25)24-15-21(28-16-23(24,2)3)18-8-6-5-7-9-18/h5-11,14,21H,12-13,15-16H2,1-4H3
InChIKeyPYNZCSFPKKYHIW-UHFFFAOYSA-N
XLogP4.15
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110327358
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120591420
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-5,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
CID 95173306
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110327324
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432693
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 110327319
2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119769741
N-(2-methoxy-5-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526391
3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 86936136
3-(2-methoxy-4-methylphenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119538684

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one?
The IUPAC name of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one (CID 86883627) is 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one?
The canonical SMILES for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one is COc1cc(C)ccc1OCCC(=O)N1CC(c2ccccc2)OCC1(C)C.
What is the InChIKey of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one?
The InChIKey is PYNZCSFPKKYHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-17-10-11-19(20(14-17)26-4)27-13-12-22(25)24-15-21(28-16-23(24,2)3)18-8-6-5-7-9-18/h5-11,14,21H,12-13,15-16H2,1-4H3.
What are the key properties of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one?
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one has a molecular weight of 383.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one is sourced from PubChem (CID 86883627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).