N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C25H27F2N3O4 — CID 42820767

IUPACN-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCN(C)C(=O)C1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H27F2N3O4/c1-3-28(2)24(33)21-16-34-25(30(21)23(32)18-6-10-20(27)11-7-18)12-14-29(15-13-25)22(31)17-4-8-19(26)9-5-17/h4-11,21H,3,12-16H2,1-2H3
InChIKeyDDDNSJWYFMONJK-UHFFFAOYSA-N
MW471.50 g/mol
LogP2.92
Rot. Bonds4

About N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 42820767) has the molecular formula C25H27F2N3O4 and a molecular weight of 471.50 g/mol. Its IUPAC name is N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID42820767
Molecular FormulaC25H27F2N3O4
Molecular Weight471.50 g/mol
Exact Mass471.20
IUPAC NameN-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCN(C)C(=O)C1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H27F2N3O4/c1-3-28(2)24(33)21-16-34-25(30(21)23(32)18-6-10-20(27)11-7-18)12-14-29(15-13-25)22(31)17-4-8-19(26)9-5-17/h4-11,21H,3,12-16H2,1-2H3
InChIKeyDDDNSJWYFMONJK-UHFFFAOYSA-N
XLogP2.92
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-benzoyl-N-[2-(dimethylamino)ethyl]-8-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137163
N-butan-2-yl-4-(4-fluorobenzoyl)-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955960
N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71830174
(3R)-N-benzyl-8-(4-ethylbenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136893
N-butan-2-yl-8-(2-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820785
1-[4-(4-fluorobenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-3,3-dimethylbutan-1-one
CID 71955942
4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110668
[8-(1,3-benzodioxole-5-carbonyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 42820824
4-(4-fluorobenzoyl)-8-(2-phenylacetyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 46140475
(3R)-4-(4-fluorobenzoyl)-8-(3-methylbenzoyl)-N-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136857
(3R)-8-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144522
(3R)-8-(2,4-difluorobenzoyl)-4-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136877

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 42820767) is N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is CCN(C)C(=O)C1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is DDDNSJWYFMONJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O4/c1-3-28(2)24(33)21-16-34-25(30(21)23(32)18-6-10-20(27)11-7-18)12-14-29(15-13-25)22(31)17-4-8-19(26)9-5-17/h4-11,21H,3,12-16H2,1-2H3.
What are the key properties of N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 471.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42820767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).