1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone

C18H25NO3 — CID 46299696

IUPAC1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCOC23CCCCC3)cc1
InChIInChI=1S/C18H25NO3/c1-14(2)22-16-8-6-15(7-9-16)17(20)19-12-13-21-18(19)10-4-3-5-11-18/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyKFIVCCKTDWCPOH-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.61
Rot. Bonds3

About 1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone

1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone (PubChem CID 46299696) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone
PubChem CID46299696
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCOC23CCCCC3)cc1
InChIInChI=1S/C18H25NO3/c1-14(2)22-16-8-6-15(7-9-16)17(20)19-12-13-21-18(19)10-4-3-5-11-18/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyKFIVCCKTDWCPOH-UHFFFAOYSA-N
XLogP3.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
CID 46299736
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide
CID 110106977
9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163307894
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828
[8-(6-chloropyridazin-3-yl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-(4-methoxyphenyl)methanone
CID 6404595
[4-[4-(hydroxymethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 58245552
[4-(4-nitrobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(4-nitrophenyl)methanone
CID 46199252
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
CID 66085905
2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone
CID 154881198
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095

Frequently Asked Questions

What is the IUPAC name of 1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of 1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone (CID 46299696) is 1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for 1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for 1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)N2CCOC23CCCCC3)cc1.
What is the InChIKey of 1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is KFIVCCKTDWCPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(2)22-16-8-6-15(7-9-16)17(20)19-12-13-21-18(19)10-4-3-5-11-18/h6-9,14H,3-5,10-13H2,1-2H3.
What are the key properties of 1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone?
1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 303.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 46299696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).