methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate

C23H27NO3 — CID 3068540

IUPACmethyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(C(=O)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H27NO3/c1-27-23(26)22(19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)21(25)17-18-11-5-2-6-12-18/h2-3,5-8,11-14,20,22H,4,9-10,15-17H2,1H3
InChIKeyPVOQFFKWKISSPW-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.30
Rot. Bonds6

About methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate

methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate (PubChem CID 3068540) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate
PubChem CID3068540
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Namemethyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(C(=O)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H27NO3/c1-27-23(26)22(19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)21(25)17-18-11-5-2-6-12-18/h2-3,5-8,11-14,20,22H,4,9-10,15-17H2,1H3
InChIKeyPVOQFFKWKISSPW-UHFFFAOYSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate (CID 3068540) is methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate is COC(=O)C(c1ccccc1)N(C(=O)Cc1ccccc1)C1CCCCC1.
What is the InChIKey of methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate?
The InChIKey is PVOQFFKWKISSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-27-23(26)22(19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)21(25)17-18-11-5-2-6-12-18/h2-3,5-8,11-14,20,22H,4,9-10,15-17H2,1H3.
What are the key properties of methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate?
methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate has a molecular weight of 365.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate is sourced from PubChem (CID 3068540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).