N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C22H29FN4O4 — CID 55800013

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CN(c2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2F)CC(C)O1
InChIInChI=1S/C22H29FN4O4/c1-14-11-26(12-15(2)31-14)18-7-6-16(10-17(18)23)24-19(28)13-27-20(29)22(25-21(27)30)8-4-3-5-9-22/h6-7,10,14-15H,3-5,8-9,11-13H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyKFZJUPOYYFFKLA-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.63
Rot. Bonds4

About N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55800013) has the molecular formula C22H29FN4O4 and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55800013
Molecular FormulaC22H29FN4O4
Molecular Weight432.50 g/mol
Exact Mass432.22
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CN(c2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2F)CC(C)O1
InChIInChI=1S/C22H29FN4O4/c1-14-11-26(12-15(2)31-14)18-7-6-16(10-17(18)23)24-19(28)13-27-20(29)22(25-21(27)30)8-4-3-5-9-22/h6-7,10,14-15H,3-5,8-9,11-13H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyKFZJUPOYYFFKLA-UHFFFAOYSA-N
XLogP2.63
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2583508
1-[2-[4-(2,6-dimethylmorpholin-4-yl)-3-fluoroanilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 75461653
N-(3,4-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622570
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55885276
N-(3,4-difluorophenyl)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]acetamide
CID 9401939
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850
N-(3,5-difluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 46665812
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55800013) is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CN(c2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2F)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is KFZJUPOYYFFKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4/c1-14-11-26(12-15(2)31-14)18-7-6-16(10-17(18)23)24-19(28)13-27-20(29)22(25-21(27)30)8-4-3-5-9-22/h6-7,10,14-15H,3-5,8-9,11-13H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 432.50 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55800013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).