methyl 3-anilino-3-(4-methoxyphenyl)propanoate

C17H19NO3 — CID 146162562

IUPACmethyl 3-anilino-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)CC(Nc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO3/c1-20-15-10-8-13(9-11-15)16(12-17(19)21-2)18-14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3
InChIKeyIEFZJCWLHCFGKY-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.41
Rot. Bonds6

About methyl 3-anilino-3-(4-methoxyphenyl)propanoate

methyl 3-anilino-3-(4-methoxyphenyl)propanoate (PubChem CID 146162562) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 3-anilino-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-anilino-3-(4-methoxyphenyl)propanoate
PubChem CID146162562
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 3-anilino-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)CC(Nc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO3/c1-20-15-10-8-13(9-11-15)16(12-17(19)21-2)18-14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3
InChIKeyIEFZJCWLHCFGKY-UHFFFAOYSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
methyl (3S)-3-(3-chlorophenyl)-3-(4-methoxyanilino)propanoate
CID 102577754
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884
3-anilino-3-(4-methoxyphenyl)-1-(4-nitrophenyl)propan-1-one
CID 2947002

Frequently Asked Questions

What is the IUPAC name of methyl 3-anilino-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-anilino-3-(4-methoxyphenyl)propanoate (CID 146162562) is methyl 3-anilino-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-anilino-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-anilino-3-(4-methoxyphenyl)propanoate is COC(=O)CC(Nc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-anilino-3-(4-methoxyphenyl)propanoate?
The InChIKey is IEFZJCWLHCFGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-10-8-13(9-11-15)16(12-17(19)21-2)18-14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3.
What are the key properties of methyl 3-anilino-3-(4-methoxyphenyl)propanoate?
methyl 3-anilino-3-(4-methoxyphenyl)propanoate has a molecular weight of 285.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-anilino-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 146162562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).