(3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C25H25F2N3O4 — CID 93137396

IUPAC(3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccccc1
InChIInChI=1S/C25H25F2N3O4/c26-17-6-9-19(20(27)14-17)24(33)29-12-10-25(11-13-29)30(23(32)16-4-2-1-3-5-16)21(15-34-25)22(31)28-18-7-8-18/h1-6,9,14,18,21H,7-8,10-13,15H2,(H,28,31)/t21-/m1/s1
InChIKeyRRCMNQDNGDOAIR-OAQYLSRUSA-N
MW469.49 g/mol
LogP2.72
Rot. Bonds4

About (3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 93137396) has the molecular formula C25H25F2N3O4 and a molecular weight of 469.49 g/mol. Its IUPAC name is (3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID93137396
Molecular FormulaC25H25F2N3O4
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC Name(3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccccc1
InChIInChI=1S/C25H25F2N3O4/c26-17-6-9-19(20(27)14-17)24(33)29-12-10-25(11-13-29)30(23(32)16-4-2-1-3-5-16)21(15-34-25)22(31)28-18-7-8-18/h1-6,9,14,18,21H,7-8,10-13,15H2,(H,28,31)/t21-/m1/s1
InChIKeyRRCMNQDNGDOAIR-OAQYLSRUSA-N
XLogP2.72
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-benzoyl-8-(2,4-difluorobenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137402
(3S)-4-benzoyl-8-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137389
N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71830174
(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
(3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138696
4-benzoyl-8-(2-fluorobenzoyl)-N-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820917
8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821137
(3S)-4-benzoyl-N-[2-(dimethylamino)ethyl]-8-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137163
(3S)-N-benzyl-8-(4-chlorobenzoyl)-4-(3-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 98421037
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 93137396) is (3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NC1CC1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccccc1.
What is the InChIKey of (3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is RRCMNQDNGDOAIR-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H25F2N3O4/c26-17-6-9-19(20(27)14-17)24(33)29-12-10-25(11-13-29)30(23(32)16-4-2-1-3-5-16)21(15-34-25)22(31)28-18-7-8-18/h1-6,9,14,18,21H,7-8,10-13,15H2,(H,28,31)/t21-/m1/s1.
What are the key properties of (3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93137396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).