methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate

C20H23NO4 — CID 110493570

IUPACmethyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate
SMILESCCOc1ccc(CC(=O)NC(Cc2ccccc2)C(=O)OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-25-17-11-9-16(10-12-17)14-19(22)21-18(20(23)24-2)13-15-7-5-4-6-8-15/h4-12,18H,3,13-14H2,1-2H3,(H,21,22)
InChIKeyPNORXQDICJIQCO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.53
Rot. Bonds8

About methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate

methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate (PubChem CID 110493570) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate
PubChem CID110493570
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate
SMILESCCOc1ccc(CC(=O)NC(Cc2ccccc2)C(=O)OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-25-17-11-9-16(10-12-17)14-19(22)21-18(20(23)24-2)13-15-7-5-4-6-8-15/h4-12,18H,3,13-14H2,1-2H3,(H,21,22)
InChIKeyPNORXQDICJIQCO-UHFFFAOYSA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
ethyl 2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]-3-phenylpropanoate
CID 48680471
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
(2S)-2-methoxy-3-[4-[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]phenyl]propanoic acid
CID 58646642
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
(3S)-3-[3-(4-ethoxyphenyl)propylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 12011940
methyl (2S)-3-amino-2-[(2-phenylacetyl)amino]propanoate
CID 54366760
(2S)-3-(4-ethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 10736143
methyl (2S)-3-(4-butoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 68523256
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197641

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate (CID 110493570) is methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate is CCOc1ccc(CC(=O)NC(Cc2ccccc2)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate?
The InChIKey is PNORXQDICJIQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-25-17-11-9-16(10-12-17)14-19(22)21-18(20(23)24-2)13-15-7-5-4-6-8-15/h4-12,18H,3,13-14H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate?
methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate has a molecular weight of 341.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 110493570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).