N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

C24H30FN3O3 — CID 157367819

IUPACN-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCCC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2
InChIInChI=1S/C24H30FN3O3/c1-6-24(4,5)27-23(31)21(29)20-15(3)19(18-9-7-8-12-28(18)20)22(30)26-16-10-11-17(25)14(2)13-16/h10-11,13H,6-9,12H2,1-5H3,(H,26,30)(H,27,31)
InChIKeySERAIMIYYXDFLI-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.32
Rot. Bonds6

About N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 157367819) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID157367819
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCCC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2
InChIInChI=1S/C24H30FN3O3/c1-6-24(4,5)27-23(31)21(29)20-15(3)19(18-9-7-8-12-28(18)20)22(30)26-16-10-11-17(25)14(2)13-16/h10-11,13H,6-9,12H2,1-5H3,(H,26,30)(H,27,31)
InChIKeySERAIMIYYXDFLI-UHFFFAOYSA-N
XLogP4.32
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[[2-[2-chloro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]-5-methylhexanoic acid
CID 164992000
N-(3,4-difluorophenyl)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134599126
N-(3-fluoro-4-methylphenyl)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134599081
1-ethyl-N-(4-fluoro-3-methylphenyl)-5-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2,4-dimethylpyrrole-3-carboxamide
CID 146450530
N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 163803732
N-(3,4-difluorophenyl)-3-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 146476446
ethyl 2-[2-chloro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetate
CID 146450377
4-[[[2-[1-[(3,4-difluorophenyl)carbamoyl]-2-methyl-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 163686924
N-(3-cyano-4-fluorophenyl)-2-methyl-3-[2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
CID 154663322
1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(2-methyl-3-oxobutan-2-yl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 158177426
3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
CID 139507448
2-chloro-N-(3-chloro-4-fluorophenyl)-3-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 146449898

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 157367819) is N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is CCC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is SERAIMIYYXDFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-6-24(4,5)27-23(31)21(29)20-15(3)19(18-9-7-8-12-28(18)20)22(30)26-16-10-11-17(25)14(2)13-16/h10-11,13H,6-9,12H2,1-5H3,(H,26,30)(H,27,31).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 157367819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).