N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide

C14H21N3O3 — CID 107972294

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)cn1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H21N3O3/c1-16-9-12(15-10-16)13(18)17(2)11-3-5-14(6-4-11)19-7-8-20-14/h9-11H,3-8H2,1-2H3
InChIKeyYMMLYTRHNIZVRA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.18
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide (PubChem CID 107972294) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide
PubChem CID107972294
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)cn1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H21N3O3/c1-16-9-12(15-10-16)13(18)17(2)11-3-5-14(6-4-11)19-7-8-20-14/h9-11H,3-8H2,1-2H3
InChIKeyYMMLYTRHNIZVRA-UHFFFAOYSA-N
XLogP1.18
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide (CID 107972294) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide is CN(C(=O)c1cn(C)cn1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide?
The InChIKey is YMMLYTRHNIZVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-9-12(15-10-16)13(18)17(2)11-3-5-14(6-4-11)19-7-8-20-14/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 107972294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).