ethyl 5-(3-aminophenyl)-2-phenylpentanoate

C19H23NO2 — CID 53238115

IUPACethyl 5-(3-aminophenyl)-2-phenylpentanoate
SMILESCCOC(=O)C(CCCc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-22-19(21)18(16-10-4-3-5-11-16)13-7-9-15-8-6-12-17(20)14-15/h3-6,8,10-12,14,18H,2,7,9,13,20H2,1H3
InChIKeyUYKBOVJPLYAZEH-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.94
Rot. Bonds7

About ethyl 5-(3-aminophenyl)-2-phenylpentanoate

ethyl 5-(3-aminophenyl)-2-phenylpentanoate (PubChem CID 53238115) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 5-(3-aminophenyl)-2-phenylpentanoate.

Molecular Properties

Compound Nameethyl 5-(3-aminophenyl)-2-phenylpentanoate
PubChem CID53238115
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl 5-(3-aminophenyl)-2-phenylpentanoate
SMILESCCOC(=O)C(CCCc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-22-19(21)18(16-10-4-3-5-11-16)13-7-9-15-8-6-12-17(20)14-15/h3-6,8,10-12,14,18H,2,7,9,13,20H2,1H3
InChIKeyUYKBOVJPLYAZEH-UHFFFAOYSA-N
XLogP3.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-aminophenyl)-2-phenylpentanoate?
The IUPAC name of ethyl 5-(3-aminophenyl)-2-phenylpentanoate (CID 53238115) is ethyl 5-(3-aminophenyl)-2-phenylpentanoate.
What is the SMILES notation for ethyl 5-(3-aminophenyl)-2-phenylpentanoate?
The canonical SMILES for ethyl 5-(3-aminophenyl)-2-phenylpentanoate is CCOC(=O)C(CCCc1cccc(N)c1)c1ccccc1.
What is the InChIKey of ethyl 5-(3-aminophenyl)-2-phenylpentanoate?
The InChIKey is UYKBOVJPLYAZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-22-19(21)18(16-10-4-3-5-11-16)13-7-9-15-8-6-12-17(20)14-15/h3-6,8,10-12,14,18H,2,7,9,13,20H2,1H3.
What are the key properties of ethyl 5-(3-aminophenyl)-2-phenylpentanoate?
ethyl 5-(3-aminophenyl)-2-phenylpentanoate has a molecular weight of 297.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-aminophenyl)-2-phenylpentanoate is sourced from PubChem (CID 53238115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).