tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate

C19H26FNO4 — CID 158659236

IUPACtert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate
SMILESCC(C)(CC(=O)NCC(=O)c1ccc(F)cc1)CC(=O)OC(C)(C)C
InChIInChI=1S/C19H26FNO4/c1-18(2,3)25-17(24)11-19(4,5)10-16(23)21-12-15(22)13-6-8-14(20)9-7-13/h6-9H,10-12H2,1-5H3,(H,21,23)
InChIKeyICNSRLWNWTWHIE-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.27
Rot. Bonds7

About tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate

tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate (PubChem CID 158659236) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate
PubChem CID158659236
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Nametert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate
SMILESCC(C)(CC(=O)NCC(=O)c1ccc(F)cc1)CC(=O)OC(C)(C)C
InChIInChI=1S/C19H26FNO4/c1-18(2,3)25-17(24)11-19(4,5)10-16(23)21-12-15(22)13-6-8-14(20)9-7-13/h6-9H,10-12H2,1-5H3,(H,21,23)
InChIKeyICNSRLWNWTWHIE-UHFFFAOYSA-N
XLogP3.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate 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

tert-butyl 2-[2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 86629006
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide
CID 110410733
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(2-methylphenoxy)acetamide
CID 110661711
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpropanamide
CID 71910218
tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916896
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea
CID 110661716
tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 22713394
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
CID 110661712
methyl 5-fluoro-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]benzoate
CID 58542051
butyl N-[2-(4-fluorophenyl)-2-oxoethyl]carbamate
CID 138473238
3-O-tert-butyl 1-O-ethyl 2-amino-2-[3-(4-fluorophenyl)-3-oxopropyl]propanedioate
CID 174602086
N-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 82114443

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate?
The IUPAC name of tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate (CID 158659236) is tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate.
What is the SMILES notation for tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate?
The canonical SMILES for tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate is CC(C)(CC(=O)NCC(=O)c1ccc(F)cc1)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate?
The InChIKey is ICNSRLWNWTWHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-18(2,3)25-17(24)11-19(4,5)10-16(23)21-12-15(22)13-6-8-14(20)9-7-13/h6-9H,10-12H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate?
tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate has a molecular weight of 351.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate is sourced from PubChem (CID 158659236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).