[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate

C19H21NO3 — CID 7796632

IUPAC[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate
SMILESCCCC(=O)O[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-7-17(21)23-18(15-8-5-4-6-9-15)19(22)20-16-12-10-14(2)11-13-16/h4-6,8-13,18H,3,7H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyKPVBNLOEHMXWER-GOSISDBHSA-N
MW311.38 g/mol
LogP4.02
Rot. Bonds6

About [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate

[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate (PubChem CID 7796632) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate.

Molecular Properties

Compound Name[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate
PubChem CID7796632
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate
SMILESCCCC(=O)O[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-7-17(21)23-18(15-8-5-4-6-9-15)19(22)20-16-12-10-14(2)11-13-16/h4-6,8-13,18H,3,7H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyKPVBNLOEHMXWER-GOSISDBHSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate 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

[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate
CID 8610004
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)acetate
CID 46645502
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912968
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011333
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate
CID 42902056
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 42971860
[2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] butanoate
CID 42963105
1-O-methyl 2-O-[2-(4-methylanilino)-2-oxo-1-phenylethyl] benzene-1,2-dicarboxylate
CID 56506522
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-methylpentanoate
CID 7848093
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 55449655
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269936
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate?
The IUPAC name of [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate (CID 7796632) is [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate.
What is the SMILES notation for [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate?
The canonical SMILES for [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate is CCCC(=O)O[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate?
The InChIKey is KPVBNLOEHMXWER-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-7-17(21)23-18(15-8-5-4-6-9-15)19(22)20-16-12-10-14(2)11-13-16/h4-6,8-13,18H,3,7H2,1-2H3,(H,20,22)/t18-/m1/s1.
What are the key properties of [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate?
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate has a molecular weight of 311.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate is sourced from PubChem (CID 7796632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).