methyl 2-(cyclohexylamino)-2-phenylacetate

C15H21NO2 — CID 3755192

IUPACmethyl 2-(cyclohexylamino)-2-phenylacetate
SMILESCOC(=O)C(NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2,4-5,8-9,13-14,16H,3,6-7,10-11H2,1H3
InChIKeyGIERMKQJVHUGLN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.82
Rot. Bonds4

About methyl 2-(cyclohexylamino)-2-phenylacetate

methyl 2-(cyclohexylamino)-2-phenylacetate (PubChem CID 3755192) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-(cyclohexylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylamino)-2-phenylacetate
PubChem CID3755192
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-(cyclohexylamino)-2-phenylacetate
SMILESCOC(=O)C(NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2,4-5,8-9,13-14,16H,3,6-7,10-11H2,1H3
InChIKeyGIERMKQJVHUGLN-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375
methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
CID 98077087
methyl 2-[(2-oxoazepan-4-yl)amino]-2-phenylacetate
CID 63887290
methyl (2R)-2-(3-cyanophenyl)-2-(cyclohexylamino)acetate
CID 97234614
methyl 2-(cycloheptylamino)-2-(3,5-difluorophenyl)acetate
CID 106528954
methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
CID 60998889
methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(cyclohexylamino)-2-phenylacetate (CID 3755192) is methyl 2-(cyclohexylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(cyclohexylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(cyclohexylamino)-2-phenylacetate is COC(=O)C(NC1CCCCC1)c1ccccc1.
What is the InChIKey of methyl 2-(cyclohexylamino)-2-phenylacetate?
The InChIKey is GIERMKQJVHUGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2,4-5,8-9,13-14,16H,3,6-7,10-11H2,1H3.
What are the key properties of methyl 2-(cyclohexylamino)-2-phenylacetate?
methyl 2-(cyclohexylamino)-2-phenylacetate has a molecular weight of 247.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylamino)-2-phenylacetate is sourced from PubChem (CID 3755192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).