2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one

C17H24N2O4 — CID 91766344

IUPAC2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one
SMILESCc1ccccc1OCC(O)C(=O)N1CC(N2CCOCC2)C1
InChIInChI=1S/C17H24N2O4/c1-13-4-2-3-5-16(13)23-12-15(20)17(21)19-10-14(11-19)18-6-8-22-9-7-18/h2-5,14-15,20H,6-12H2,1H3
InChIKeyYJPKVGXLUTYPHO-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.28
Rot. Bonds5

About 2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one

2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one (PubChem CID 91766344) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one
PubChem CID91766344
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one
SMILESCc1ccccc1OCC(O)C(=O)N1CC(N2CCOCC2)C1
InChIInChI=1S/C17H24N2O4/c1-13-4-2-3-5-16(13)23-12-15(20)17(21)19-10-14(11-19)18-6-8-22-9-7-18/h2-5,14-15,20H,6-12H2,1H3
InChIKeyYJPKVGXLUTYPHO-UHFFFAOYSA-N
XLogP0.28
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one
CID 125170702
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
CID 131910721
8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95870119
8-[(2R)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 125165060
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
CID 131935960
1-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
CID 122569076
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
CID 56917026
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 110900539
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237280
[2-[(2-methylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 21264591
2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665303

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one (CID 91766344) is 2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one is Cc1ccccc1OCC(O)C(=O)N1CC(N2CCOCC2)C1.
What is the InChIKey of 2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one?
The InChIKey is YJPKVGXLUTYPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13-4-2-3-5-16(13)23-12-15(20)17(21)19-10-14(11-19)18-6-8-22-9-7-18/h2-5,14-15,20H,6-12H2,1H3.
What are the key properties of 2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one?
2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one has a molecular weight of 320.39 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 91766344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).