N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

C17H21FN4O4 — CID 118773136

IUPACN-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)N2CCCC3(CN(C)C(=O)O3)C2)ccc1F
InChIInChI=1S/C17H21FN4O4/c1-11(23)19-14-8-12(4-5-13(14)18)20-15(24)22-7-3-6-17(10-22)9-21(2)16(25)26-17/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyCTRWRHJOJOTBRS-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.23
Rot. Bonds2

About N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 118773136) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID118773136
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC NameN-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)N2CCCC3(CN(C)C(=O)O3)C2)ccc1F
InChIInChI=1S/C17H21FN4O4/c1-11(23)19-14-8-12(4-5-13(14)18)20-15(24)22-7-3-6-17(10-22)9-21(2)16(25)26-17/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyCTRWRHJOJOTBRS-UHFFFAOYSA-N
XLogP2.23
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 125168497
N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 118768284
(5R)-N-(3-ethoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 125164128
(3S)-N-(3-acetamido-4-fluorophenyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide
CID 97436375
(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 95713099
3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 119070099
(5R)-3-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125174974
(5S)-3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 126434804
N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide
CID 131921886
(5R)-3-methyl-N-[3-(2-methylphenyl)phenyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125156795
(5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720116
(5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126453746

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (CID 118773136) is N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is CC(=O)Nc1cc(NC(=O)N2CCCC3(CN(C)C(=O)O3)C2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is CTRWRHJOJOTBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4/c1-11(23)19-14-8-12(4-5-13(14)18)20-15(24)22-7-3-6-17(10-22)9-21(2)16(25)26-17/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 118773136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).