N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C16H29N3O4 — CID 131693226

IUPACN-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCOCCNC(=O)C1COC2(CN(C(=O)CC(C)C)C2)CN1C
InChIInChI=1S/C16H29N3O4/c1-12(2)7-14(20)19-10-16(11-19)9-18(3)13(8-23-16)15(21)17-5-6-22-4/h12-13H,5-11H2,1-4H3,(H,17,21)
InChIKeyWMVZNVLLQJKEAO-UHFFFAOYSA-N
MW327.43 g/mol
LogP-0.29
Rot. Bonds6

About N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131693226) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID131693226
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC NameN-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCOCCNC(=O)C1COC2(CN(C(=O)CC(C)C)C2)CN1C
InChIInChI=1S/C16H29N3O4/c1-12(2)7-14(20)19-10-16(11-19)9-18(3)13(8-23-16)15(21)17-5-6-22-4/h12-13H,5-11H2,1-4H3,(H,17,21)
InChIKeyWMVZNVLLQJKEAO-UHFFFAOYSA-N
XLogP-0.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-(2-methoxyethyl)-8-methyl-2-pentanoyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155866411
N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131661616
N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693240
2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693074
3-methyl-1-[7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one
CID 131693794
(3S)-4,8-bis(4-methoxybenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136999
2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693726
(7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813778
(7R)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813777
2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693362
N-(2-methoxyethyl)-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955880

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131693226) is N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is COCCNC(=O)C1COC2(CN(C(=O)CC(C)C)C2)CN1C.
What is the InChIKey of N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is WMVZNVLLQJKEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-12(2)7-14(20)19-10-16(11-19)9-18(3)13(8-23-16)15(21)17-5-6-22-4/h12-13H,5-11H2,1-4H3,(H,17,21).
What are the key properties of N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 327.43 g/mol, XLogP of -0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131693226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).