methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate

C20H23NO3 — CID 42192377

IUPACmethyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1C
InChIInChI=1S/C20H23NO3/c1-15-9-7-8-12-17(15)18(16-10-5-4-6-11-16)13-19(22)21(2)14-20(23)24-3/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1
InChIKeyQFQUZKPHQMGTJU-GOSISDBHSA-N
MW325.41 g/mol
LogP3.15
Rot. Bonds6

About methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate

methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate (PubChem CID 42192377) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate
PubChem CID42192377
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namemethyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1C
InChIInChI=1S/C20H23NO3/c1-15-9-7-8-12-17(15)18(16-10-5-4-6-11-16)13-19(22)21(2)14-20(23)24-3/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1
InChIKeyQFQUZKPHQMGTJU-GOSISDBHSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[methyl(2-phenylpropanoyl)amino]acetate
CID 104916610
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methyl 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetate
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ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
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CID 54593844
ethane;methyl 3-hydroxy-3-(2-methylphenyl)propanoate
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(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
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methyl 2-[3-(4-aminophenyl)butanoyl-methylamino]acetate
CID 104502315

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate (CID 42192377) is methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate is COC(=O)CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1C.
What is the InChIKey of methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate?
The InChIKey is QFQUZKPHQMGTJU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-9-7-8-12-17(15)18(16-10-5-4-6-11-16)13-19(22)21(2)14-20(23)24-3/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1.
What are the key properties of methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate?
methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate has a molecular weight of 325.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate is sourced from PubChem (CID 42192377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).