ethyl 3-(4-methylanilino)-2-phenylpropanoate

C18H21NO2 — CID 3694385

IUPACethyl 3-(4-methylanilino)-2-phenylpropanoate
SMILESCCOC(=O)C(CNc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-21-18(20)17(15-7-5-4-6-8-15)13-19-16-11-9-14(2)10-12-16/h4-12,17,19H,3,13H2,1-2H3
InChIKeyMOPSABLPHOCXDK-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.75
Rot. Bonds6

About ethyl 3-(4-methylanilino)-2-phenylpropanoate

ethyl 3-(4-methylanilino)-2-phenylpropanoate (PubChem CID 3694385) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 3-(4-methylanilino)-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-methylanilino)-2-phenylpropanoate
PubChem CID3694385
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 3-(4-methylanilino)-2-phenylpropanoate
SMILESCCOC(=O)C(CNc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-21-18(20)17(15-7-5-4-6-8-15)13-19-16-11-9-14(2)10-12-16/h4-12,17,19H,3,13H2,1-2H3
InChIKeyMOPSABLPHOCXDK-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-methylanilino)-2-phenylpropanoate
CID 64567482
methyl 3-(4-methylsulfanylanilino)-2-phenylpropanoate
CID 64565618
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
ethyl 2-phenylbutanoate;sulfane
CID 174662373
3-(4-ethylanilino)-2-phenylpropanoic acid
CID 64566244
(3R)-4-ethoxy-4-oxo-3-phenylbutanoic acid
CID 2276730
ethyl (2S,3R)-2-hydroxy-3-(4-methylanilino)-3-phenylpropanoate
CID 101189884
methyl 2-phenyl-3-[4-(trifluoromethylsulfonyl)anilino]propanoate
CID 71871507
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
ethyl 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylpropanoate
CID 119805478
ethyl 3-[(5-cyano-2-pyridinyl)amino]-2-phenylpropanoate
CID 133323508
ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate
CID 120990918

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methylanilino)-2-phenylpropanoate?
The IUPAC name of ethyl 3-(4-methylanilino)-2-phenylpropanoate (CID 3694385) is ethyl 3-(4-methylanilino)-2-phenylpropanoate.
What is the SMILES notation for ethyl 3-(4-methylanilino)-2-phenylpropanoate?
The canonical SMILES for ethyl 3-(4-methylanilino)-2-phenylpropanoate is CCOC(=O)C(CNc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of ethyl 3-(4-methylanilino)-2-phenylpropanoate?
The InChIKey is MOPSABLPHOCXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-21-18(20)17(15-7-5-4-6-8-15)13-19-16-11-9-14(2)10-12-16/h4-12,17,19H,3,13H2,1-2H3.
What are the key properties of ethyl 3-(4-methylanilino)-2-phenylpropanoate?
ethyl 3-(4-methylanilino)-2-phenylpropanoate has a molecular weight of 283.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylanilino)-2-phenylpropanoate is sourced from PubChem (CID 3694385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).