methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate

C17H19NO2 — CID 101375266

IUPACmethyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
SMILESCOC(=O)C[C@@H](Nc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H19NO2/c1-13-8-10-14(11-9-13)16(12-17(19)20-2)18-15-6-4-3-5-7-15/h3-11,16,18H,12H2,1-2H3/t16-/m1/s1
InChIKeyAFGWSOJOZLWLRZ-MRXNPFEDSA-N
MW269.34 g/mol
LogP3.71
Rot. Bonds5

About methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate

methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate (PubChem CID 101375266) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
PubChem CID101375266
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
SMILESCOC(=O)C[C@@H](Nc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H19NO2/c1-13-8-10-14(11-9-13)16(12-17(19)20-2)18-15-6-4-3-5-7-15/h3-11,16,18H,12H2,1-2H3/t16-/m1/s1
InChIKeyAFGWSOJOZLWLRZ-MRXNPFEDSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate 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

methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
tert-butyl (3R)-3-anilino-3-phenylpropanoate
CID 134904442
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate
CID 10782581
methyl (3R)-3-anilinobutanoate
CID 11333008
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate (CID 101375266) is methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate is COC(=O)C[C@@H](Nc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate?
The InChIKey is AFGWSOJOZLWLRZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-8-10-14(11-9-13)16(12-17(19)20-2)18-15-6-4-3-5-7-15/h3-11,16,18H,12H2,1-2H3/t16-/m1/s1.
What are the key properties of methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate?
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate has a molecular weight of 269.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 101375266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).