2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C19H27FN2O2 — CID 118743864

IUPAC2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(Cc2ccc(F)cc2)CC12CCOCC2
InChIInChI=1S/C19H27FN2O2/c1-14(2)21-18(23)17-12-22(11-15-3-5-16(20)6-4-15)13-19(17)7-9-24-10-8-19/h3-6,14,17H,7-13H2,1-2H3,(H,21,23)
InChIKeyGVFIONZMZNWWGQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.58
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118743864) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118743864
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(Cc2ccc(F)cc2)CC12CCOCC2
InChIInChI=1S/C19H27FN2O2/c1-14(2)21-18(23)17-12-22(11-15-3-5-16(20)6-4-15)13-19(17)7-9-24-10-8-19/h3-6,14,17H,7-13H2,1-2H3,(H,21,23)
InChIKeyGVFIONZMZNWWGQ-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118743864) is 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CC(C)NC(=O)C1CN(Cc2ccc(F)cc2)CC12CCOCC2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is GVFIONZMZNWWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14(2)21-18(23)17-12-22(11-15-3-5-16(20)6-4-15)13-19(17)7-9-24-10-8-19/h3-6,14,17H,7-13H2,1-2H3,(H,21,23).
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118743864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).