(2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one

C19H27NO4 — CID 125170702

IUPAC(2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one
SMILESCc1ccccc1OC[C@@H](O)C(=O)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C19H27NO4/c1-15-5-2-3-6-17(15)24-13-16(21)18(22)20-10-4-7-19(14-20)8-11-23-12-9-19/h2-3,5-6,16,21H,4,7-14H2,1H3/t16-/m1/s1
InChIKeyPLSRWTCQCPFPLQ-MRXNPFEDSA-N
MW333.43 g/mol
LogP2.15
Rot. Bonds4

About (2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one

(2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one (PubChem CID 125170702) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one
PubChem CID125170702
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name(2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one
SMILESCc1ccccc1OC[C@@H](O)C(=O)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C19H27NO4/c1-15-5-2-3-6-17(15)24-13-16(21)18(22)20-10-4-7-19(14-20)8-11-23-12-9-19/h2-3,5-6,16,21H,4,7-14H2,1H3/t16-/m1/s1
InChIKeyPLSRWTCQCPFPLQ-MRXNPFEDSA-N
XLogP2.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one
CID 91766344
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-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
CID 131910721
N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 125163740
2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone
CID 118771498
1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-2-phenylsulfanylethanone
CID 91839939
6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027903
3-methoxy-1-[2-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-2-oxoethyl]pyridin-2-one
CID 72884824
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
CID 131935960
2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665303
5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 118795917

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one?
The IUPAC name of (2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one (CID 125170702) is (2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one?
The canonical SMILES for (2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one is Cc1ccccc1OC[C@@H](O)C(=O)N1CCCC2(CCOCC2)C1.
What is the InChIKey of (2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one?
The InChIKey is PLSRWTCQCPFPLQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27NO4/c1-15-5-2-3-6-17(15)24-13-16(21)18(22)20-10-4-7-19(14-20)8-11-23-12-9-19/h2-3,5-6,16,21H,4,7-14H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one?
(2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one has a molecular weight of 333.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one is sourced from PubChem (CID 125170702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).