10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

C24H27FN2O4 — CID 146066856

IUPAC10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCCOc1ccccc1C(=O)N1CCC(=O)N(Cc2ccc(F)cc2)C2(CCOC2)C1
InChIInChI=1S/C24H27FN2O4/c1-2-31-21-6-4-3-5-20(21)23(29)26-13-11-22(28)27(24(16-26)12-14-30-17-24)15-18-7-9-19(25)10-8-18/h3-10H,2,11-17H2,1H3
InChIKeyPPKVONPJEDRNEU-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.26
Rot. Bonds5

About 10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (PubChem CID 146066856) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is 10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
PubChem CID146066856
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCCOc1ccccc1C(=O)N1CCC(=O)N(Cc2ccc(F)cc2)C2(CCOC2)C1
InChIInChI=1S/C24H27FN2O4/c1-2-31-21-6-4-3-5-20(21)23(29)26-13-11-22(28)27(24(16-26)12-14-30-17-24)15-18-7-9-19(25)10-8-18/h3-10H,2,11-17H2,1H3
InChIKeyPPKVONPJEDRNEU-UHFFFAOYSA-N
XLogP3.26
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one 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

6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066809
6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068341
6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068336
6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068335
6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146070657
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644
(3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087666
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718493
(3R)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718494
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464

Frequently Asked Questions

What is the IUPAC name of 10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The IUPAC name of 10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (CID 146066856) is 10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for 10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is CCOc1ccccc1C(=O)N1CCC(=O)N(Cc2ccc(F)cc2)C2(CCOC2)C1.
What is the InChIKey of 10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The InChIKey is PPKVONPJEDRNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-2-31-21-6-4-3-5-20(21)23(29)26-13-11-22(28)27(24(16-26)12-14-30-17-24)15-18-7-9-19(25)10-8-18/h3-10H,2,11-17H2,1H3.
What are the key properties of 10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one has a molecular weight of 426.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146066856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).