(4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

C19H26FN3O3 — CID 146065807

IUPAC(4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CN(Cc2ccc(F)cc2)C[C@@]12OCCNC2=O
InChIInChI=1S/C19H26FN3O3/c1-13(2)9-22-17(24)16-11-23(10-14-3-5-15(20)6-4-14)12-19(16)18(25)21-7-8-26-19/h3-6,13,16H,7-12H2,1-2H3,(H,21,25)(H,22,24)/t16-,19-/m1/s1
InChIKeyFTQDDJIISDVNCJ-VQIMIIECSA-N
MW363.43 g/mol
LogP0.91
Rot. Bonds5

About (4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide

(4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide (PubChem CID 146065807) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is (4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
PubChem CID146065807
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name(4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CN(Cc2ccc(F)cc2)C[C@@]12OCCNC2=O
InChIInChI=1S/C19H26FN3O3/c1-13(2)9-22-17(24)16-11-23(10-14-3-5-15(20)6-4-14)12-19(16)18(25)21-7-8-26-19/h3-6,13,16H,7-12H2,1-2H3,(H,21,25)(H,22,24)/t16-,19-/m1/s1
InChIKeyFTQDDJIISDVNCJ-VQIMIIECSA-N
XLogP0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide (CID 146065807) is (4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide is CC(C)CNC(=O)[C@H]1CN(Cc2ccc(F)cc2)C[C@@]12OCCNC2=O.
What is the InChIKey of (4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
The InChIKey is FTQDDJIISDVNCJ-VQIMIIECSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-13(2)9-22-17(24)16-11-23(10-14-3-5-15(20)6-4-14)12-19(16)18(25)21-7-8-26-19/h3-6,13,16H,7-12H2,1-2H3,(H,21,25)(H,22,24)/t16-,19-/m1/s1.
What are the key properties of (4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide?
(4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 146065807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).