propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate

C25H25NO3 — CID 1183511

IUPACpropan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-18(2)29-25(28)21-14-16-22(17-15-21)26-24(27)23-11-7-6-10-20(23)13-12-19-8-4-3-5-9-19/h3-11,14-18H,12-13H2,1-2H3,(H,26,27)
InChIKeyGFRXXWSANRWKAM-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.29
Rot. Bonds7

About propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate

propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate (PubChem CID 1183511) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate
PubChem CID1183511
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Namepropan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-18(2)29-25(28)21-14-16-22(17-15-21)26-24(27)23-11-7-6-10-20(23)13-12-19-8-4-3-5-9-19/h3-11,14-18H,12-13H2,1-2H3,(H,26,27)
InChIKeyGFRXXWSANRWKAM-UHFFFAOYSA-N
XLogP5.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide
CID 55609495
N-[4-(ethylsulfonylamino)phenyl]-2-(2-phenylethyl)benzamide
CID 60556640
propan-2-yl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
CID 19187874
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
CID 2199290
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate
CID 19181459
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-acetamidobenzoate
CID 7654238
methyl 2-(2-phenylethyl)benzoate
CID 59701000
propan-2-yl 4-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17358321
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2609828
N-(3-acetamido-4-fluorophenyl)-2-(2-phenylethyl)benzamide
CID 55532787
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)benzamide
CID 60557012
propan-2-yl 4-[[2-(2-benzylanilino)-2-oxoethyl]amino]benzoate
CID 24583465

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate (CID 1183511) is propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1.
What is the InChIKey of propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate?
The InChIKey is GFRXXWSANRWKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-18(2)29-25(28)21-14-16-22(17-15-21)26-24(27)23-11-7-6-10-20(23)13-12-19-8-4-3-5-9-19/h3-11,14-18H,12-13H2,1-2H3,(H,26,27).
What are the key properties of propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate?
propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate has a molecular weight of 387.48 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 1183511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).