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

C23H31FN2O3 — CID 91912687

IUPACN-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(C(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1F
InChIInChI=1S/C23H31FN2O3/c1-16-7-8-17(13-20(16)24)22(28)26-14-19(23(15-26)9-11-29-12-10-23)21(27)25-18-5-3-2-4-6-18/h7-8,13,18-19H,2-6,9-12,14-15H2,1H3,(H,25,27)
InChIKeyXIPQXZBZXRHYQZ-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.45
Rot. Bonds3

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

N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912687) has the molecular formula C23H31FN2O3 and a molecular weight of 402.51 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912687
Molecular FormulaC23H31FN2O3
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC NameN-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(C(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1F
InChIInChI=1S/C23H31FN2O3/c1-16-7-8-17(13-20(16)24)22(28)26-14-19(23(15-26)9-11-29-12-10-23)21(27)25-18-5-3-2-4-6-18/h7-8,13,18-19H,2-6,9-12,14-15H2,1H3,(H,25,27)
InChIKeyXIPQXZBZXRHYQZ-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912687) is N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(C(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1F.
What is the InChIKey of N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is XIPQXZBZXRHYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O3/c1-16-7-8-17(13-20(16)24)22(28)26-14-19(23(15-26)9-11-29-12-10-23)21(27)25-18-5-3-2-4-6-18/h7-8,13,18-19H,2-6,9-12,14-15H2,1H3,(H,25,27).
What are the key properties of N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 402.51 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-fluoro-4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).