(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C23H25FN2O3 — CID 97399848

IUPAC(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(C(=O)N2C[C@@H](C(=O)Nc3cccc(F)c3)C3(CCOCC3)C2)cc1
InChIInChI=1S/C23H25FN2O3/c1-16-5-7-17(8-6-16)22(28)26-14-20(23(15-26)9-11-29-12-10-23)21(27)25-19-4-2-3-18(24)13-19/h2-8,13,20H,9-12,14-15H2,1H3,(H,25,27)/t20-/m0/s1
InChIKeyGTFKXLNHBAPTJZ-FQEVSTJZSA-N
MW396.46 g/mol
LogP3.64
Rot. Bonds3

About (4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 97399848) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is (4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID97399848
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(C(=O)N2C[C@@H](C(=O)Nc3cccc(F)c3)C3(CCOCC3)C2)cc1
InChIInChI=1S/C23H25FN2O3/c1-16-5-7-17(8-6-16)22(28)26-14-20(23(15-26)9-11-29-12-10-23)21(27)25-19-4-2-3-18(24)13-19/h2-8,13,20H,9-12,14-15H2,1H3,(H,25,27)/t20-/m0/s1
InChIKeyGTFKXLNHBAPTJZ-FQEVSTJZSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912643
N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131654795
2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155872032
(2S,3R)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492920
(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492919
2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924968
2-[2-(4-methylphenyl)acetyl]-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155838857
N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912661
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912734
2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138809547
(3-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912512

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 97399848) is (4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(C(=O)N2C[C@@H](C(=O)Nc3cccc(F)c3)C3(CCOCC3)C2)cc1.
What is the InChIKey of (4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is GTFKXLNHBAPTJZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-16-5-7-17(8-6-16)22(28)26-14-20(23(15-26)9-11-29-12-10-23)21(27)25-19-4-2-3-18(24)13-19/h2-8,13,20H,9-12,14-15H2,1H3,(H,25,27)/t20-/m0/s1.
What are the key properties of (4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 97399848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).