[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate

C25H25NO4 — CID 2511443

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H25NO4/c1-19(2)26(17-20-10-5-3-6-11-20)24(27)18-29-25(28)21-12-9-15-23(16-21)30-22-13-7-4-8-14-22/h3-16,19H,17-18H2,1-2H3
InChIKeyCKFOUGPSXMIGLN-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.07
Rot. Bonds8

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate (PubChem CID 2511443) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate
PubChem CID2511443
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H25NO4/c1-19(2)26(17-20-10-5-3-6-11-20)24(27)18-29-25(28)21-12-9-15-23(16-21)30-22-13-7-4-8-14-22/h3-16,19H,17-18H2,1-2H3
InChIKeyCKFOUGPSXMIGLN-UHFFFAOYSA-N
XLogP5.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2419733
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2574935
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 8013484
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30818019
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538908
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 2123017
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2099680
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate
CID 18203691
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511439
N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide
CID 55733109

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate (CID 2511443) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate is CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate?
The InChIKey is CKFOUGPSXMIGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-19(2)26(17-20-10-5-3-6-11-20)24(27)18-29-25(28)21-12-9-15-23(16-21)30-22-13-7-4-8-14-22/h3-16,19H,17-18H2,1-2H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-phenoxybenzoate has a molecular weight of 403.48 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 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] 3-phenoxybenzoate is sourced from PubChem (CID 2511443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).