(4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C18H31NO3 — CID 52572456

IUPAC(4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCCCCC1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H31NO3/c1-2-3-4-15-5-7-16(8-6-15)17(20)19-11-9-18(10-12-19)21-13-14-22-18/h15-16H,2-14H2,1H3
InChIKeyUFEIYRQTDAZDAT-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.35
Rot. Bonds4

About (4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 52572456) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID52572456
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name(4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCCCCC1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H31NO3/c1-2-3-4-15-5-7-16(8-6-15)17(20)19-11-9-18(10-12-19)21-13-14-22-18/h15-16H,2-14H2,1H3
InChIKeyUFEIYRQTDAZDAT-UHFFFAOYSA-N
XLogP3.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexyl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 24285042
(1-Butanoylpiperidin-4-yl) 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 86818834
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-N-(4-methylpentyl)acetamide
CID 100679611
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 60507725
(4,4-Difluorocyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 81931312
1-[4-(1,3-Dioxolan-2-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 84600873
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)octan-1-one
CID 22474518
2-Cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 58137322
3-(1,4-Dioxaspiro[4.5]decan-8-yl)-1-piperidin-1-ylpropan-1-one
CID 156050328
3,5-Dimethyladamantanyl 1,4-dioxa-8-azaspiro[4.5]dec-8-yl ketone
CID 6470310
[(3R,5S)-3,5-dimethyl-1-adamantyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 8067176
(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one
CID 10801787

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 52572456) is (4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is CCCCC1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is UFEIYRQTDAZDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-2-3-4-15-5-7-16(8-6-15)17(20)19-11-9-18(10-12-19)21-13-14-22-18/h15-16H,2-14H2,1H3.
What are the key properties of (4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 309.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 52572456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).