8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C25H37N3O5 — CID 71955289

IUPAC8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOCCNC(=O)C1COC2(CCN(C(=O)CC(C)(C)C)CC2)N1C(=O)c1cccc(C)c1
InChIInChI=1S/C25H37N3O5/c1-18-7-6-8-19(15-18)23(31)28-20(22(30)26-11-14-32-5)17-33-25(28)9-12-27(13-10-25)21(29)16-24(2,3)4/h6-8,15,20H,9-14,16-17H2,1-5H3,(H,26,30)
InChIKeyNSBXEHSWIDUHRX-UHFFFAOYSA-N
MW459.59 g/mol
LogP2.35
Rot. Bonds6

About 8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 71955289) has the molecular formula C25H37N3O5 and a molecular weight of 459.59 g/mol. Its IUPAC name is 8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID71955289
Molecular FormulaC25H37N3O5
Molecular Weight459.59 g/mol
Exact Mass459.27
IUPAC Name8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOCCNC(=O)C1COC2(CCN(C(=O)CC(C)(C)C)CC2)N1C(=O)c1cccc(C)c1
InChIInChI=1S/C25H37N3O5/c1-18-7-6-8-19(15-18)23(31)28-20(22(30)26-11-14-32-5)17-33-25(28)9-12-27(13-10-25)21(29)16-24(2,3)4/h6-8,15,20H,9-14,16-17H2,1-5H3,(H,26,30)
InChIKeyNSBXEHSWIDUHRX-UHFFFAOYSA-N
XLogP2.35
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 52.35
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

(3S)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138647
(3R)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138648
8-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821075
(3S)-8-(4-chlorobenzoyl)-4-(3-methoxybenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138693
(3S)-4,8-bis(4-methoxybenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136999
(3S)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138533
8-(4-ethylbenzoyl)-4-(3-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956660
8-(2-chlorobenzoyl)-N-(2-methoxyethyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821061
(3S)-8-(3,3-dimethylbutanoyl)-4-(4-methoxybenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137031
(3S)-4-(3-methoxybenzoyl)-8-propanoyl-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478249
(3S)-4-benzoyl-8-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137389
(3R)-8-(3,3-dimethylbutanoyl)-N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144322

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 71955289) is 8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is COCCNC(=O)C1COC2(CCN(C(=O)CC(C)(C)C)CC2)N1C(=O)c1cccc(C)c1.
What is the InChIKey of 8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is NSBXEHSWIDUHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O5/c1-18-7-6-8-19(15-18)23(31)28-20(22(30)26-11-14-32-5)17-33-25(28)9-12-27(13-10-25)21(29)16-24(2,3)4/h6-8,15,20H,9-14,16-17H2,1-5H3,(H,26,30).
What are the key properties of 8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethylbutanoyl)-N-(2-methoxyethyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71955289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).