ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate

C19H21NO4 — CID 175230442

IUPACethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)C(O)C(NC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-3-24-19(23)17(21)16(14-7-5-4-6-8-14)20-18(22)15-11-9-13(2)10-12-15/h4-12,16-17,21H,3H2,1-2H3,(H,20,22)
InChIKeyWZJBNUCWYADAJW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.39
Rot. Bonds6

About ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate

ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate (PubChem CID 175230442) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
PubChem CID175230442
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)C(O)C(NC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-3-24-19(23)17(21)16(14-7-5-4-6-8-14)20-18(22)15-11-9-13(2)10-12-15/h4-12,16-17,21H,3H2,1-2H3,(H,20,22)
InChIKeyWZJBNUCWYADAJW-UHFFFAOYSA-N
XLogP2.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,3S)-3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoate
CID 163362380
ethyl (2S,3S)-3-[(4-tert-butylbenzoyl)amino]-2-hydroxy-3-phenylpropanoate
CID 163362379
ethyl (2S,3S)-3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 163362371
ethyl 2-[(4-methylbenzoyl)amino]-4,4-diphenylbutanoate
CID 175573876
ethyl (2S,3R)-2-hydroxy-3-(4-methylanilino)-3-phenylpropanoate
CID 101189884
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
ethyl (2S)-2-hydroxy-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 90141045
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 102178448
N-[(1S)-2,2-dichloro-1-phenylethyl]-4-methylbenzamide
CID 2303417
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
diethyl 2-[(4-methylbenzoyl)amino]propanedioate
CID 17447783
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate (CID 175230442) is ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate is CCOC(=O)C(O)C(NC(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
The InChIKey is WZJBNUCWYADAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-24-19(23)17(21)16(14-7-5-4-6-8-14)20-18(22)15-11-9-13(2)10-12-15/h4-12,16-17,21H,3H2,1-2H3,(H,20,22).
What are the key properties of ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate has a molecular weight of 327.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 175230442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).