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

C28H36N4O4 — CID 83279484

IUPAC8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NCc2ccccn2)COC12CCN(C(=O)CC(C)(C)C)CC2
InChIInChI=1S/C28H36N4O4/c1-20-9-5-6-11-22(20)26(35)32-23(25(34)30-18-21-10-7-8-14-29-21)19-36-28(32)12-15-31(16-13-28)24(33)17-27(2,3)4/h5-11,14,23H,12-13,15-19H2,1-4H3,(H,30,34)
InChIKeySUTYUWDYZVMDPF-UHFFFAOYSA-N
MW492.62 g/mol
LogP3.30
Rot. Bonds5

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

8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 83279484) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is 8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID83279484
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC Name8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NCc2ccccn2)COC12CCN(C(=O)CC(C)(C)C)CC2
InChIInChI=1S/C28H36N4O4/c1-20-9-5-6-11-22(20)26(35)32-23(25(34)30-18-21-10-7-8-14-29-21)19-36-28(32)12-15-31(16-13-28)24(33)17-27(2,3)4/h5-11,14,23H,12-13,15-19H2,1-4H3,(H,30,34)
InChIKeySUTYUWDYZVMDPF-UHFFFAOYSA-N
XLogP3.30
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144858
(3S)-8-(4-fluorobenzoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137687
3,3-dimethyl-1-[4-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 71955196
(3S)-8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-[(1S)-1-phenylethyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137751
(3S)-4,8-bis(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137595
4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42820110
4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820960
(3R)-4-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137954
(3S)-8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136792
8-(4-chlorobenzoyl)-4-(2-methylbenzoyl)-N-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821032
8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 83285217
(3S)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138647

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 83279484) is 8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is Cc1ccccc1C(=O)N1C(C(=O)NCc2ccccn2)COC12CCN(C(=O)CC(C)(C)C)CC2.
What is the InChIKey of 8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is SUTYUWDYZVMDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-20-9-5-6-11-22(20)26(35)32-23(25(34)30-18-21-10-7-8-14-29-21)19-36-28(32)12-15-31(16-13-28)24(33)17-27(2,3)4/h5-11,14,23H,12-13,15-19H2,1-4H3,(H,30,34).
What are the key properties of 8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 83279484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).