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

C27H32FN3O4 — CID 71954934

IUPAC8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(C(=O)N2C(C(=O)NCC(C)C)COC23CCN(C(=O)c2ccccc2F)CC3)cc1
InChIInChI=1S/C27H32FN3O4/c1-18(2)16-29-24(32)23-17-35-27(31(23)25(33)20-10-8-19(3)9-11-20)12-14-30(15-13-27)26(34)21-6-4-5-7-22(21)28/h4-11,18,23H,12-17H2,1-3H3,(H,29,32)
InChIKeyRXZAAPCVLUJVPA-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.38
Rot. Bonds5

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

8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 71954934) has the molecular formula C27H32FN3O4 and a molecular weight of 481.57 g/mol. Its IUPAC name is 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID71954934
Molecular FormulaC27H32FN3O4
Molecular Weight481.57 g/mol
Exact Mass481.24
IUPAC Name8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(C(=O)N2C(C(=O)NCC(C)C)COC23CCN(C(=O)c2ccccc2F)CC3)cc1
InChIInChI=1S/C27H32FN3O4/c1-18(2)16-29-24(32)23-17-35-27(31(23)25(33)20-10-8-19(3)9-11-20)12-14-30(15-13-27)26(34)21-6-4-5-7-22(21)28/h4-11,18,23H,12-17H2,1-3H3,(H,29,32)
InChIKeyRXZAAPCVLUJVPA-UHFFFAOYSA-N
XLogP3.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-8-(2,4-difluorobenzoyl)-4-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136876
(3R)-8-(2,4-difluorobenzoyl)-4-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136877
4-benzoyl-8-(2-fluorobenzoyl)-N-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820917
8-(2-chlorobenzoyl)-N-(2-methoxyethyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821061
8-(1,3-benzodioxole-5-carbonyl)-4-benzoyl-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820937
(3R)-8-(3-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138602
N-butan-2-yl-8-(2-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820785
(3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137292
N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71830174
[8-(2-fluorobenzoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 42820973
(3S)-8-(3,3-dimethylbutanoyl)-4-(4-methoxybenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137031
[(3R)-8-(2-methylbenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 93137842

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 71954934) is 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is Cc1ccc(C(=O)N2C(C(=O)NCC(C)C)COC23CCN(C(=O)c2ccccc2F)CC3)cc1.
What is the InChIKey of 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is RXZAAPCVLUJVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O4/c1-18(2)16-29-24(32)23-17-35-27(31(23)25(33)20-10-8-19(3)9-11-20)12-14-30(15-13-27)26(34)21-6-4-5-7-22(21)28/h4-11,18,23H,12-17H2,1-3H3,(H,29,32).
What are the key properties of 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71954934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).