N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C13H24N2O3 — CID 110299714

IUPACN-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)CCNC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H24N2O3/c1-11(2)3-6-14-12(16)15-7-4-13(5-8-15)17-9-10-18-13/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyMBHVBFVKVPKHQB-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.58
Rot. Bonds3

About N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 110299714) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID110299714
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)CCNC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H24N2O3/c1-11(2)3-6-14-12(16)15-7-4-13(5-8-15)17-9-10-18-13/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyMBHVBFVKVPKHQB-UHFFFAOYSA-N
XLogP1.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 94816549
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-(2-methylpropylamino)ethanone
CID 108993208
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide
CID 108941596
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 109011707
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112975652
N-[2-(4-ethoxyphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112973164
N-[2-(3-propan-2-ylphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112972396
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylbutylamino)-2-pyridinyl]methanone
CID 109193809
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109123501
N-[2-(2,4,5-trimethylphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112974447

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 110299714) is N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CC(C)CCNC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is MBHVBFVKVPKHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(2)3-6-14-12(16)15-7-4-13(5-8-15)17-9-10-18-13/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 110299714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).