(9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide

C19H26FNO3 — CID 124877000

IUPAC(9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
SMILESCC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC12OCCO2
InChIInChI=1S/C19H26FNO3/c1-13(2)17(12-14-5-7-15(20)8-6-14)21-18(22)16-4-3-9-19(16)23-10-11-24-19/h5-8,13,16-17H,3-4,9-12H2,1-2H3,(H,21,22)/t16-,17-/m1/s1
InChIKeyDLNOZFAVCCEQOI-IAGOWNOFSA-N
MW335.42 g/mol
LogP3.05
Rot. Bonds5

About (9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide

(9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide (PubChem CID 124877000) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is (9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
PubChem CID124877000
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name(9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
SMILESCC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC12OCCO2
InChIInChI=1S/C19H26FNO3/c1-13(2)17(12-14-5-7-15(20)8-6-14)21-18(22)16-4-3-9-19(16)23-10-11-24-19/h5-8,13,16-17H,3-4,9-12H2,1-2H3,(H,21,22)/t16-,17-/m1/s1
InChIKeyDLNOZFAVCCEQOI-IAGOWNOFSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide (CID 124877000) is (9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide is CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC12OCCO2.
What is the InChIKey of (9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
The InChIKey is DLNOZFAVCCEQOI-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-13(2)17(12-14-5-7-15(20)8-6-14)21-18(22)16-4-3-9-19(16)23-10-11-24-19/h5-8,13,16-17H,3-4,9-12H2,1-2H3,(H,21,22)/t16-,17-/m1/s1.
What are the key properties of (9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide?
(9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 124877000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).