ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate

C20H23NO3 — CID 67620780

IUPACethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(=O)C(N)CCc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-2-24-19(22)14-16-8-11-17(12-9-16)20(23)18(21)13-10-15-6-4-3-5-7-15/h3-9,11-12,18H,2,10,13-14,21H2,1H3
InChIKeyLQXOXDAPKUIUNZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.93
Rot. Bonds8

About ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate

ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate (PubChem CID 67620780) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate
PubChem CID67620780
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(=O)C(N)CCc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-2-24-19(22)14-16-8-11-17(12-9-16)20(23)18(21)13-10-15-6-4-3-5-7-15/h3-9,11-12,18H,2,10,13-14,21H2,1H3
InChIKeyLQXOXDAPKUIUNZ-UHFFFAOYSA-N
XLogP2.93
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1,4-diphenylbutan-1-one;hydrochloride
CID 66915929
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-[4-[4-[2-(1-aminoethylidene)-3-hydroxy-6-phenylhexanoyl]phenyl]phenyl]acetate
CID 163746186
ethyl 3-bromo-5-phenylpentanoate
CID 18918606
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate
CID 70059375
2-[4-(2-aminohexanoyl)phenyl]acetic acid
CID 70523747
ethyl 3-oxo-4-phenyl-2-(2-phenylethyl)butanoate
CID 139793390
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
3-amino-5-phenylpentan-2-one;propane
CID 143988472

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate (CID 67620780) is ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate is CCOC(=O)Cc1ccc(C(=O)C(N)CCc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate?
The InChIKey is LQXOXDAPKUIUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-24-19(22)14-16-8-11-17(12-9-16)20(23)18(21)13-10-15-6-4-3-5-7-15/h3-9,11-12,18H,2,10,13-14,21H2,1H3.
What are the key properties of ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate?
ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate has a molecular weight of 325.41 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate is sourced from PubChem (CID 67620780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).