N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C16H29N3O3 — CID 131693240

IUPACN,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)CCC(=O)N1CC2(C1)CN(C)C(C(=O)N(C)C)CO2
InChIInChI=1S/C16H29N3O3/c1-12(2)6-7-14(20)19-10-16(11-19)9-18(5)13(8-22-16)15(21)17(3)4/h12-13H,6-11H2,1-5H3
InChIKeyZQWNOKFUYOQBJP-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.42
Rot. Bonds4

About N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131693240) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID131693240
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)CCC(=O)N1CC2(C1)CN(C)C(C(=O)N(C)C)CO2
InChIInChI=1S/C16H29N3O3/c1-12(2)6-7-14(20)19-10-16(11-19)9-18(5)13(8-22-16)15(21)17(3)4/h12-13H,6-11H2,1-5H3
InChIKeyZQWNOKFUYOQBJP-UHFFFAOYSA-N
XLogP0.42
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,8-trimethyl-2-pentanoyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693230
1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one
CID 110203435
N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693226
2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693074
4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
CID 97399284
N,N-dimethyl-5-(4-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693015
2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693051
2-N,2-N,7-N,8-tetramethyl-5-oxa-2,8-diazaspiro[3.5]nonane-2,7-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155849523
1-(4-hydroxypentanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200487
N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155864199
2,2,2-trifluoroacetic acid;N,N,8-trimethyl-2-(3-methyl-1-benzofuran-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 155866753
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822

Frequently Asked Questions

What is the IUPAC name of N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131693240) is N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CC(C)CCC(=O)N1CC2(C1)CN(C)C(C(=O)N(C)C)CO2.
What is the InChIKey of N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is ZQWNOKFUYOQBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12(2)6-7-14(20)19-10-16(11-19)9-18(5)13(8-22-16)15(21)17(3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131693240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).