methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate

C21H25NO3 — CID 71156862

IUPACmethyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate
SMILESCCc1cccc(C)c1N(C(=O)Cc1ccccc1)C(C)C(=O)OC
InChIInChI=1S/C21H25NO3/c1-5-18-13-9-10-15(2)20(18)22(16(3)21(24)25-4)19(23)14-17-11-7-6-8-12-17/h6-13,16H,5,14H2,1-4H3
InChIKeyBHGGVLNOOYEGER-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.69
Rot. Bonds6

About methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate

methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate (PubChem CID 71156862) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate
PubChem CID71156862
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Namemethyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate
SMILESCCc1cccc(C)c1N(C(=O)Cc1ccccc1)C(C)C(=O)OC
InChIInChI=1S/C21H25NO3/c1-5-18-13-9-10-15(2)20(18)22(16(3)21(24)25-4)19(23)14-17-11-7-6-8-12-17/h6-13,16H,5,14H2,1-4H3
InChIKeyBHGGVLNOOYEGER-UHFFFAOYSA-N
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

anthracene-9,10-dione;methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
CID 70355149
methyl 2-[2,6-bis(hydroxymethyl)-N-(2-phenylacetyl)anilino]propanoate
CID 171042126
zinc;manganese(2+);methyl (2S)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 5491474
methyl (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 67568315
methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005
ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate
CID 70505326
methyl 2-[N-(3-chloropropanoyl)-2,6-dimethylanilino]propanoate
CID 21434150
methyl 2-(N-(2-acetylsulfanylacetyl)-2,6-dimethylanilino)propanoate
CID 12899215
aluminum;tris(ethoxy-oxido-oxophosphanium);methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 173363857
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 11831821
methyl (2S)-2-[3-hydroxybutanoyl-(2-methylnaphthalen-1-yl)amino]propanoate
CID 70528581
methyl 2-(N-[(2E,4Z)-5-methoxypenta-2,4-dienoyl]-2,6-dimethylanilino)propanoate
CID 143030431

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate?
The IUPAC name of methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate (CID 71156862) is methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate.
What is the SMILES notation for methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate?
The canonical SMILES for methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate is CCc1cccc(C)c1N(C(=O)Cc1ccccc1)C(C)C(=O)OC.
What is the InChIKey of methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate?
The InChIKey is BHGGVLNOOYEGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-5-18-13-9-10-15(2)20(18)22(16(3)21(24)25-4)19(23)14-17-11-7-6-8-12-17/h6-13,16H,5,14H2,1-4H3.
What are the key properties of methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate?
methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate has a molecular weight of 339.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate is sourced from PubChem (CID 71156862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).