3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide

C14H24N2O4 — CID 108941596

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide
SMILESCC(C)CNC(=O)CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H24N2O4/c1-11(2)10-15-12(17)9-13(18)16-5-3-14(4-6-16)19-7-8-20-14/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyIAVRGCANCNXDAI-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.51
Rot. Bonds4

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide (PubChem CID 108941596) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide
PubChem CID108941596
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide
SMILESCC(C)CNC(=O)CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H24N2O4/c1-11(2)10-15-12(17)9-13(18)16-5-3-14(4-6-16)19-7-8-20-14/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyIAVRGCANCNXDAI-UHFFFAOYSA-N
XLogP0.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylpropylamino)ethanone
CID 108993208
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 109145270
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 109011707
N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110299714
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenoxy)ethyl]-3-oxopropanamide
CID 108949993
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methoxypropan-1-one
CID 115588850
1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea
CID 112994194
8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112994198
2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 13018232

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide (CID 108941596) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide is CC(C)CNC(=O)CC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide?
The InChIKey is IAVRGCANCNXDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(2)10-15-12(17)9-13(18)16-5-3-14(4-6-16)19-7-8-20-14/h11H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide has a molecular weight of 284.36 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide is sourced from PubChem (CID 108941596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).