ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate

C20H23NO4 — CID 142971104

IUPACethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)cc1)NC(=O)c1ccccc1C
InChIInChI=1S/C20H23NO4/c1-4-25-20(23)18(13-15-9-11-16(24-3)12-10-15)21-19(22)17-8-6-5-7-14(17)2/h5-12,18H,4,13H2,1-3H3,(H,21,22)
InChIKeyLNRWNBWQFXNEKI-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.91
Rot. Bonds7

About ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate

ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate (PubChem CID 142971104) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
PubChem CID142971104
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)cc1)NC(=O)c1ccccc1C
InChIInChI=1S/C20H23NO4/c1-4-25-20(23)18(13-15-9-11-16(24-3)12-10-15)21-19(22)17-8-6-5-7-14(17)2/h5-12,18H,4,13H2,1-3H3,(H,21,22)
InChIKeyLNRWNBWQFXNEKI-UHFFFAOYSA-N
XLogP2.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314
ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 11431698
ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate
CID 22093441
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
2-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid
CID 68842473
ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate
CID 102029792
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate
CID 43877682

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate?
The IUPAC name of ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate (CID 142971104) is ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate?
The canonical SMILES for ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate is CCOC(=O)C(Cc1ccc(OC)cc1)NC(=O)c1ccccc1C.
What is the InChIKey of ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate?
The InChIKey is LNRWNBWQFXNEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-25-20(23)18(13-15-9-11-16(24-3)12-10-15)21-19(22)17-8-6-5-7-14(17)2/h5-12,18H,4,13H2,1-3H3,(H,21,22).
What are the key properties of ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate?
ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate has a molecular weight of 341.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 142971104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).