ethyl 3-(2-phenylpropanoylamino)benzoate

C18H19NO3 — CID 54084497

IUPACethyl 3-(2-phenylpropanoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C(C)c2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-3-22-18(21)15-10-7-11-16(12-15)19-17(20)13(2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,19,20)
InChIKeyMPLMXJDFMSJVFR-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.61
Rot. Bonds5

About ethyl 3-(2-phenylpropanoylamino)benzoate

ethyl 3-(2-phenylpropanoylamino)benzoate (PubChem CID 54084497) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 3-(2-phenylpropanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(2-phenylpropanoylamino)benzoate
PubChem CID54084497
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 3-(2-phenylpropanoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C(C)c2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-3-22-18(21)15-10-7-11-16(12-15)19-17(20)13(2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,19,20)
InChIKeyMPLMXJDFMSJVFR-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-phenylpropanoylamino)benzoate
CID 104916705
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-[[(2S)-2-chloropropanoyl]amino]benzoate
CID 92660255
ethyl 3-[[(2S)-2-methylpentanoyl]amino]benzoate
CID 670808
ethyl 3-(benzhydrylamino)benzoate
CID 172748353
ethyl 3-(1-phenylpropylcarbamoylamino)benzoate
CID 3804159
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]benzoate
CID 103929675
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
2-(3-ethoxycarbonylanilino)propanoic acid
CID 66172089
ethyl 3-(3-benzamidobutanoylamino)benzoate
CID 46612606

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-phenylpropanoylamino)benzoate?
The IUPAC name of ethyl 3-(2-phenylpropanoylamino)benzoate (CID 54084497) is ethyl 3-(2-phenylpropanoylamino)benzoate.
What is the SMILES notation for ethyl 3-(2-phenylpropanoylamino)benzoate?
The canonical SMILES for ethyl 3-(2-phenylpropanoylamino)benzoate is CCOC(=O)c1cccc(NC(=O)C(C)c2ccccc2)c1.
What is the InChIKey of ethyl 3-(2-phenylpropanoylamino)benzoate?
The InChIKey is MPLMXJDFMSJVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-22-18(21)15-10-7-11-16(12-15)19-17(20)13(2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 3-(2-phenylpropanoylamino)benzoate?
ethyl 3-(2-phenylpropanoylamino)benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-phenylpropanoylamino)benzoate is sourced from PubChem (CID 54084497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).