[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C26H27NO4 — CID 7277099

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO4/c1-20(2)27(18-21-12-6-3-7-13-21)24(28)19-31-25(29)26(30,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,30H,18-19H2,1-2H3
InChIKeyALZJBBHGQNKGMQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.90
Rot. Bonds8

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 7277099) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID7277099
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO4/c1-20(2)27(18-21-12-6-3-7-13-21)24(28)19-31-25(29)26(30,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,30H,18-19H2,1-2H3
InChIKeyALZJBBHGQNKGMQ-UHFFFAOYSA-N
XLogP3.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 2630730
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 42968173
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate
CID 2511443
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2675463
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55926275
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate
CID 18203691
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884679
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404716

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 7277099) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is CC(C)N(Cc1ccccc1)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is ALZJBBHGQNKGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-20(2)27(18-21-12-6-3-7-13-21)24(28)19-31-25(29)26(30,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,30H,18-19H2,1-2H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 417.51 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 7277099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).