methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate

C18H19NO2 — CID 60796680

IUPACmethyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
SMILESCOC(=O)C(NC1CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-21-18(20)17(19-16-11-12-16)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-17,19H,11-12H2,1H3
InChIKeyQTDXTOLARIGPQO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.32
Rot. Bonds5

About methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate

methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate (PubChem CID 60796680) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
PubChem CID60796680
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
SMILESCOC(=O)C(NC1CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-21-18(20)17(19-16-11-12-16)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-17,19H,11-12H2,1H3
InChIKeyQTDXTOLARIGPQO-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate
CID 116857339
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
methyl 2-(cyclopropylamino)-2-pyridin-2-ylacetate
CID 66593106
methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate
CID 116857352
methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate
CID 60795655

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate (CID 60796680) is methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate is COC(=O)C(NC1CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate?
The InChIKey is QTDXTOLARIGPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-18(20)17(19-16-11-12-16)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-17,19H,11-12H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate?
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate has a molecular weight of 281.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate is sourced from PubChem (CID 60796680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).