methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate

C24H25NO2 — CID 91743844

IUPACmethyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO2/c1-18-4-11-21(12-5-18)25(22-13-6-19(2)7-14-22)23-15-8-20(9-16-23)10-17-24(26)27-3/h4-9,11-16H,10,17H2,1-3H3
InChIKeyRXZMBUXTSZLBLI-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.88
Rot. Bonds6

About methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate

methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate (PubChem CID 91743844) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate
PubChem CID91743844
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Namemethyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO2/c1-18-4-11-21(12-5-18)25(22-13-6-19(2)7-14-22)23-15-8-20(9-16-23)10-17-24(26)27-3/h4-9,11-16H,10,17H2,1-3H3
InChIKeyRXZMBUXTSZLBLI-UHFFFAOYSA-N
XLogP5.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-[4-[2-[4-[4-(3-methoxy-3-oxopropyl)-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]ethyl]-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate
CID 71277676
methyl 3-[4-(N-[4-[4-[4-(3-methoxy-3-oxopropyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 22335995
methyl 3-[4-[4-[2-[4-[4-(4-hydroxy-3-oxobutyl)-N-(4-phenylphenyl)anilino]phenyl]ethyl]-N-(4-phenylphenyl)anilino]phenyl]propanoate
CID 71277319
methyl 3-[4-[5-[4-(3-methoxy-3-oxopropyl)-N-(4-methylphenyl)sulfonylanilino]pentyl-(4-methylphenyl)sulfonylamino]phenyl]propanoate
CID 10485120
methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate
CID 110476824
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate
CID 159099314
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
1-[[1-(dimethylamino)-3-[4-[4-(3-methoxy-3-oxopropyl)phenyl]phenyl]-1-oxopropan-2-yl]-sulfinatoamino]-4-methylbenzene
CID 69113287

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate?
The IUPAC name of methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate (CID 91743844) is methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate?
The canonical SMILES for methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate is COC(=O)CCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate?
The InChIKey is RXZMBUXTSZLBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-18-4-11-21(12-5-18)25(22-13-6-19(2)7-14-22)23-15-8-20(9-16-23)10-17-24(26)27-3/h4-9,11-16H,10,17H2,1-3H3.
What are the key properties of methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate?
methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate has a molecular weight of 359.47 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate is sourced from PubChem (CID 91743844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).