2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide

C27H32F2N4O4 — CID 42778590

IUPAC2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)C1=O
InChIInChI=1S/C27H32F2N4O4/c1-2-37-14-6-11-30-24(34)18-32-19-33(23-7-4-3-5-8-23)27(26(32)36)9-12-31(13-10-27)25(35)20-15-21(28)17-22(29)16-20/h3-5,7-8,15-17H,2,6,9-14,18-19H2,1H3,(H,30,34)
InChIKeyLDCWNNSPYXATOZ-UHFFFAOYSA-N
MW514.57 g/mol
LogP2.79
Rot. Bonds9

About 2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide

2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide (PubChem CID 42778590) has the molecular formula C27H32F2N4O4 and a molecular weight of 514.57 g/mol. Its IUPAC name is 2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide
PubChem CID42778590
Molecular FormulaC27H32F2N4O4
Molecular Weight514.57 g/mol
Exact Mass514.24
IUPAC Name2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)C1=O
InChIInChI=1S/C27H32F2N4O4/c1-2-37-14-6-11-30-24(34)18-32-19-33(23-7-4-3-5-8-23)27(26(32)36)9-12-31(13-10-27)25(35)20-15-21(28)17-22(29)16-20/h3-5,7-8,15-17H,2,6,9-14,18-19H2,1H3,(H,30,34)
InChIKeyLDCWNNSPYXATOZ-UHFFFAOYSA-N
XLogP2.79
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.57
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide 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

N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3963552
N-(3-ethoxypropyl)-2-[8-(4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42773672
N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 5131044
N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42773682
N-(3-ethoxypropyl)-2-(8-nonanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 42773681
2-[8-(2-fluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide
CID 5149743
2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide
CID 3992341
N-(3-methoxypropyl)-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)benzoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 4258349
3-[2-(3-methoxypropylamino)-2-oxoethyl]-4-oxo-N,1-diphenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42771014
2-[8-(4-hexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide
CID 5025550
N-[(4-fluorophenyl)methyl]-2-[4-oxo-8-(4-pentylbenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 4547619
N-[(4-fluorophenyl)methyl]-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3249616

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide (CID 42778590) is 2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)C1=O.
What is the InChIKey of 2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide?
The InChIKey is LDCWNNSPYXATOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N4O4/c1-2-37-14-6-11-30-24(34)18-32-19-33(23-7-4-3-5-8-23)27(26(32)36)9-12-31(13-10-27)25(35)20-15-21(28)17-22(29)16-20/h3-5,7-8,15-17H,2,6,9-14,18-19H2,1H3,(H,30,34).
What are the key properties of 2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide?
2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide has a molecular weight of 514.57 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 42778590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).