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

C26H28FN3O4 — CID 71830174

IUPACN-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC3(CC2)OCC(C(=O)NC2CC2)N3C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28FN3O4/c1-17-2-4-18(5-3-17)24(32)29-14-12-26(13-15-29)30(25(33)19-6-8-20(27)9-7-19)22(16-34-26)23(31)28-21-10-11-21/h2-9,21-22H,10-16H2,1H3,(H,28,31)
InChIKeyDUZSKNPTZLTXPM-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.89
Rot. Bonds4

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

N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 71830174) has the molecular formula C26H28FN3O4 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID71830174
Molecular FormulaC26H28FN3O4
Molecular Weight465.53 g/mol
Exact Mass465.21
IUPAC NameN-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC3(CC2)OCC(C(=O)NC2CC2)N3C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28FN3O4/c1-17-2-4-18(5-3-17)24(32)29-14-12-26(13-15-29)30(25(33)19-6-8-20(27)9-7-19)22(16-34-26)23(31)28-21-10-11-21/h2-9,21-22H,10-16H2,1H3,(H,28,31)
InChIKeyDUZSKNPTZLTXPM-UHFFFAOYSA-N
XLogP2.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-benzoyl-N-cyclopropyl-8-(2,4-difluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137396
N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820767
(3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138696
(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
(3S)-4-(4-fluorobenzoyl)-8-(3-methylbenzoyl)-N-[(1S)-1-phenylethyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136862
8-(4-fluorobenzoyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956144
(3R)-N-benzyl-8-(4-ethylbenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136893
8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71954934
(3R)-4-(4-fluorobenzoyl)-8-(3-methylbenzoyl)-N-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136857
(3S)-8-(4-methoxybenzoyl)-4-(4-methylbenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137987
8-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821075

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 71830174) is N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is Cc1ccc(C(=O)N2CCC3(CC2)OCC(C(=O)NC2CC2)N3C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is DUZSKNPTZLTXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4/c1-17-2-4-18(5-3-17)24(32)29-14-12-26(13-15-29)30(25(33)19-6-8-20(27)9-7-19)22(16-34-26)23(31)28-21-10-11-21/h2-9,21-22H,10-16H2,1H3,(H,28,31).
What are the key properties of N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-fluorobenzoyl)-8-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71830174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).