2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide

C29H36FN3O3 — CID 164570186

IUPAC2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(F)c(C(=O)N[C@@H](C(=O)N2CCC3(CC2)CC(=O)N(C)CC3c2ccccc2)C(C)C)c1
InChIInChI=1S/C29H36FN3O3/c1-19(2)26(31-27(35)22-16-20(3)10-11-24(22)30)28(36)33-14-12-29(13-15-33)17-25(34)32(4)18-23(29)21-8-6-5-7-9-21/h5-11,16,19,23,26H,12-15,17-18H2,1-4H3,(H,31,35)/t23?,26-/m1/s1
InChIKeyYCIYVOMGLLAQEL-ANWICMFUSA-N
MW493.62 g/mol
LogP4.14
Rot. Bonds5

About 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide

2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide (PubChem CID 164570186) has the molecular formula C29H36FN3O3 and a molecular weight of 493.62 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide
PubChem CID164570186
Molecular FormulaC29H36FN3O3
Molecular Weight493.62 g/mol
Exact Mass493.27
IUPAC Name2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(F)c(C(=O)N[C@@H](C(=O)N2CCC3(CC2)CC(=O)N(C)CC3c2ccccc2)C(C)C)c1
InChIInChI=1S/C29H36FN3O3/c1-19(2)26(31-27(35)22-16-20(3)10-11-24(22)30)28(36)33-14-12-29(13-15-33)17-25(34)32(4)18-23(29)21-8-6-5-7-9-21/h5-11,16,19,23,26H,12-15,17-18H2,1-4H3,(H,31,35)/t23?,26-/m1/s1
InChIKeyYCIYVOMGLLAQEL-ANWICMFUSA-N
XLogP4.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(2S)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]-5-(trifluoromethyl)benzamide
CID 164570218
2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(2-methyl-1-oxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 164570122
2-fluoro-5-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 118417333
2-fluoro-N-[(2R)-1-[1-(4-fluorophenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide
CID 135188229
2-fluoro-N-[1-[11-(4-fluorophenyl)-9-methyl-3,9-diazaspiro[5.5]undecan-3-yl]-3-methyl-1-oxobutan-2-yl]-5-(trifluoromethyl)benzamide
CID 175468697
2-chloro-4-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl]benzoic acid
CID 135188216
2-fluoro-N-[(2R)-1-[1-(4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide
CID 129224598
N-[(2R)-1-[1-(4-cyanophenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-methylbenzamide
CID 129224677
2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[4-(oxetan-3-ylamino)phenyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide
CID 135188256
N-[(2R)-1-[1-(3-cyanophenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-methylbenzamide
CID 129224590
2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-(2-methyl-3H-benzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide
CID 129224732
2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(4-methylsulfonylphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide
CID 129224754

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide (CID 164570186) is 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide is Cc1ccc(F)c(C(=O)N[C@@H](C(=O)N2CCC3(CC2)CC(=O)N(C)CC3c2ccccc2)C(C)C)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide?
The InChIKey is YCIYVOMGLLAQEL-ANWICMFUSA-N. The full InChI is InChI=1S/C29H36FN3O3/c1-19(2)26(31-27(35)22-16-20(3)10-11-24(22)30)28(36)33-14-12-29(13-15-33)17-25(34)32(4)18-23(29)21-8-6-5-7-9-21/h5-11,16,19,23,26H,12-15,17-18H2,1-4H3,(H,31,35)/t23?,26-/m1/s1.
What are the key properties of 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide?
2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide has a molecular weight of 493.62 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-(3-methyl-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 164570186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).