propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate

C20H24N2O3 — CID 54814917

IUPACpropyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CNC(C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-13-25-20(24)17-9-11-18(12-10-17)22-19(23)14-21-15(2)16-7-5-4-6-8-16/h4-12,15,21H,3,13-14H2,1-2H3,(H,22,23)
InChIKeyOBIFFSIFZKLNGT-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.54
Rot. Bonds8

About propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate

propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate (PubChem CID 54814917) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate
PubChem CID54814917
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namepropyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CNC(C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-13-25-20(24)17-9-11-18(12-10-17)22-19(23)14-21-15(2)16-7-5-4-6-8-16/h4-12,15,21H,3,13-14H2,1-2H3,(H,22,23)
InChIKeyOBIFFSIFZKLNGT-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide
CID 54815004
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
propyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 2289705
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
ethyl 4-[[2-[1-(2-fluorophenyl)ethylamino]acetyl]amino]benzoate
CID 18086054
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
propyl 4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzoate
CID 54812904
N-(2-methoxyphenyl)-4-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8898758
N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684031

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate (CID 54814917) is propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)CNC(C)c2ccccc2)cc1.
What is the InChIKey of propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate?
The InChIKey is OBIFFSIFZKLNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-13-25-20(24)17-9-11-18(12-10-17)22-19(23)14-21-15(2)16-7-5-4-6-8-16/h4-12,15,21H,3,13-14H2,1-2H3,(H,22,23).
What are the key properties of propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate?
propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate is sourced from PubChem (CID 54814917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).