N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C21H29FN2O3 — CID 71956292

IUPACN-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCC(C)NC(=O)C1COC2(CCC(C)CC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C21H29FN2O3/c1-4-15(3)23-19(25)18-13-27-21(10-8-14(2)9-11-21)24(18)20(26)16-6-5-7-17(22)12-16/h5-7,12,14-15,18H,4,8-11,13H2,1-3H3,(H,23,25)
InChIKeyJOVUWMHAZBCMAN-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.49
Rot. Bonds4

About N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 71956292) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID71956292
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC NameN-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCC(C)NC(=O)C1COC2(CCC(C)CC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C21H29FN2O3/c1-4-15(3)23-19(25)18-13-27-21(10-8-14(2)9-11-21)24(18)20(26)16-6-5-7-17(22)12-16/h5-7,12,14-15,18H,4,8-11,13H2,1-3H3,(H,23,25)
InChIKeyJOVUWMHAZBCMAN-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 71956292) is N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CCC(C)NC(=O)C1COC2(CCC(C)CC2)N1C(=O)c1cccc(F)c1.
What is the InChIKey of N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is JOVUWMHAZBCMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-4-15(3)23-19(25)18-13-27-21(10-8-14(2)9-11-21)24(18)20(26)16-6-5-7-17(22)12-16/h5-7,12,14-15,18H,4,8-11,13H2,1-3H3,(H,23,25).
What are the key properties of N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71956292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).