(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

C21H26FNO4 — CID 125157021

IUPAC(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)C2(CCCC2)O1
InChIInChI=1S/C21H26FNO4/c22-16-5-3-4-15(12-16)20(8-10-26-11-9-20)14-23-19(25)17-13-18(24)27-21(17)6-1-2-7-21/h3-5,12,17H,1-2,6-11,13-14H2,(H,23,25)/t17-/m0/s1
InChIKeyABSIRKLBHIWTJA-KRWDZBQOSA-N
MW375.44 g/mol
LogP2.87
Rot. Bonds4

About (4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 125157021) has the molecular formula C21H26FNO4 and a molecular weight of 375.44 g/mol. Its IUPAC name is (4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID125157021
Molecular FormulaC21H26FNO4
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)C2(CCCC2)O1
InChIInChI=1S/C21H26FNO4/c22-16-5-3-4-15(12-16)20(8-10-26-11-9-20)14-23-19(25)17-13-18(24)27-21(17)6-1-2-7-21/h3-5,12,17H,1-2,6-11,13-14H2,(H,23,25)/t17-/m0/s1
InChIKeyABSIRKLBHIWTJA-KRWDZBQOSA-N
XLogP2.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide with MolForge

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
CID 175658431
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154906936
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methylcyclohexylidene)acetamide
CID 86952712
(1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide
CID 155504602
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
CID 118763908
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
(9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125170054
(4aR,6S,8aR)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide
CID 155503313
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 132968647
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide
CID 56911914

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of (4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (CID 125157021) is (4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for (4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for (4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is O=C1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)C2(CCCC2)O1.
What is the InChIKey of (4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is ABSIRKLBHIWTJA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26FNO4/c22-16-5-3-4-15(12-16)20(8-10-26-11-9-20)14-23-19(25)17-13-18(24)27-21(17)6-1-2-7-21/h3-5,12,17H,1-2,6-11,13-14H2,(H,23,25)/t17-/m0/s1.
What are the key properties of (4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 125157021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).