methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate

C25H25NO3 — CID 10715253

IUPACmethyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate
SMILESCOC(=O)c1cc(CC(=O)N(C)CCc2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C25H25NO3/c1-26(16-15-19-9-5-3-6-10-19)24(27)18-20-13-14-22(21-11-7-4-8-12-21)23(17-20)25(28)29-2/h3-14,17H,15-16,18H2,1-2H3
InChIKeyYLWQYXBYELVQEL-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.38
Rot. Bonds7

About methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate

methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate (PubChem CID 10715253) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate.

Molecular Properties

Compound Namemethyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate
PubChem CID10715253
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Namemethyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate
SMILESCOC(=O)c1cc(CC(=O)N(C)CCc2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C25H25NO3/c1-26(16-15-19-9-5-3-6-10-19)24(27)18-20-13-14-22(21-11-7-4-8-12-21)23(17-20)25(28)29-2/h3-14,17H,15-16,18H2,1-2H3
InChIKeyYLWQYXBYELVQEL-UHFFFAOYSA-N
XLogP4.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate?
The IUPAC name of methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate (CID 10715253) is methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate.
What is the SMILES notation for methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate?
The canonical SMILES for methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate is COC(=O)c1cc(CC(=O)N(C)CCc2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate?
The InChIKey is YLWQYXBYELVQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-26(16-15-19-9-5-3-6-10-19)24(27)18-20-13-14-22(21-11-7-4-8-12-21)23(17-20)25(28)29-2/h3-14,17H,15-16,18H2,1-2H3.
What are the key properties of methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate?
methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate has a molecular weight of 387.48 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoate is sourced from PubChem (CID 10715253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).