[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C25H25NO4 — CID 7277194

IUPAC[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c1-19-11-9-10-12-20(19)17-26(2)23(27)18-30-24(28)25(29,21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-16,29H,17-18H2,1-2H3
InChIKeyDMSAFWBYOFTNIC-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.43
Rot. Bonds7

About [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 7277194) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID7277194
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c1-19-11-9-10-12-20(19)17-26(2)23(27)18-30-24(28)25(29,21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-16,29H,17-18H2,1-2H3
InChIKeyDMSAFWBYOFTNIC-UHFFFAOYSA-N
XLogP3.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 7277194) is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is Cc1ccccc1CN(C)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is DMSAFWBYOFTNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-19-11-9-10-12-20(19)17-26(2)23(27)18-30-24(28)25(29,21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-16,29H,17-18H2,1-2H3.
What are the key properties of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 403.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 7277194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).