methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate

C20H23NO3 — CID 78878003

IUPACmethyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(C)C
InChIInChI=1S/C20H23NO3/c1-15(2)21(14-20(23)24-3)19(22)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyWIGRNKJGIPOKIA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.31
Rot. Bonds6

About methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate

methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate (PubChem CID 78878003) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate
PubChem CID78878003
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namemethyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(C)C
InChIInChI=1S/C20H23NO3/c1-15(2)21(14-20(23)24-3)19(22)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyWIGRNKJGIPOKIA-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884649
methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884783
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 60766581
methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 78878045
methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
CID 61164332
methyl 2-[3-phenylsulfanylpropanoyl(propan-2-yl)amino]acetate
CID 60767024
methyl 2-[[2-(cyclohexen-1-yl)acetyl]-propan-2-ylamino]acetate
CID 63565005
methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate
CID 78885231
methyl 2-[[2-(3-methyl-2-pyridinyl)acetyl]-propan-2-ylamino]acetate
CID 107148632
2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid
CID 120580930
methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate
CID 60946562
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate (CID 78878003) is methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(C)C.
What is the InChIKey of methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate?
The InChIKey is WIGRNKJGIPOKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(2)21(14-20(23)24-3)19(22)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate?
methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate has a molecular weight of 325.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 78878003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).