(5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

C18H24ClNO3 — CID 71862158

IUPAC(5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESCCCOc1ccc(Cl)cc1C(=O)N1CCC2(CCOCC2)C1
InChIInChI=1S/C18H24ClNO3/c1-2-9-23-16-4-3-14(19)12-15(16)17(21)20-8-5-18(13-20)6-10-22-11-7-18/h3-4,12H,2,5-11,13H2,1H3
InChIKeyKOHFDVQMADNVDE-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.77
Rot. Bonds4

About (5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

(5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (PubChem CID 71862158) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is (5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
PubChem CID71862158
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name(5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESCCCOc1ccc(Cl)cc1C(=O)N1CCC2(CCOCC2)C1
InChIInChI=1S/C18H24ClNO3/c1-2-9-23-16-4-3-14(19)12-15(16)17(21)20-8-5-18(13-20)6-10-22-11-7-18/h3-4,12H,2,5-11,13H2,1H3
InChIKeyKOHFDVQMADNVDE-UHFFFAOYSA-N
XLogP3.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
CID 4296379
(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71973264
(5-chloro-2-propoxyphenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119414568
(3S)-1-(5-chloro-2-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119173685
1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 71977674
5-chloro-2-propoxybenzoyl chloride
CID 12863236
(5-chloro-2-propoxyphenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 71977744
(5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride
CID 120638264
(5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
CID 166269754
(4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 119813660
[4-[5-chloro-2-(2-methylpropoxy)benzoyl]piperazin-1-yl]-[5-chloro-2-(2-methylpropoxy)phenyl]methanone
CID 51059993
1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 178146515

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of (5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (CID 71862158) is (5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for (5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for (5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is CCCOc1ccc(Cl)cc1C(=O)N1CCC2(CCOCC2)C1.
What is the InChIKey of (5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The InChIKey is KOHFDVQMADNVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-2-9-23-16-4-3-14(19)12-15(16)17(21)20-8-5-18(13-20)6-10-22-11-7-18/h3-4,12H,2,5-11,13H2,1H3.
What are the key properties of (5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
(5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone has a molecular weight of 337.85 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 71862158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).