ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate

C20H23NO4 — CID 139910489

IUPACethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)[C@H](Cc1ccc(-c2ccccc2OC)cc1)NC(C)=O
InChIInChI=1S/C20H23NO4/c1-4-25-20(23)18(21-14(2)22)13-15-9-11-16(12-10-15)17-7-5-6-8-19(17)24-3/h5-12,18H,4,13H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyLGAJJOVRIANFJX-SFHVURJKSA-N
MW341.41 g/mol
LogP2.97
Rot. Bonds7

About ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate

ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate (PubChem CID 139910489) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate
PubChem CID139910489
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)[C@H](Cc1ccc(-c2ccccc2OC)cc1)NC(C)=O
InChIInChI=1S/C20H23NO4/c1-4-25-20(23)18(21-14(2)22)13-15-9-11-16(12-10-15)17-7-5-6-8-19(17)24-3/h5-12,18H,4,13H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyLGAJJOVRIANFJX-SFHVURJKSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-acetamido-3-[4-[2-[4-(2-acetamido-3-ethoxy-3-oxopropyl)phenyl]ethyl]phenyl]propanoate
CID 101157552
4-[[(4S)-5-ethoxy-1-[4-(2-methoxyphenyl)phenyl]-4-methyl-5-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 68753820
ethyl 2-acetamido-3-[4-(chloromethyl)phenyl]propanoate
CID 14701760
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 2723594
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206
ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate
CID 71545342
propyl 2-acetamido-3-phenylpropanoate
CID 3917469
ethyl 2-acetamido-3-(4-cyanophenyl)propanoate
CID 10869023
(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-3-phenylpropanoate
CID 2929077
N-[[4-(2-methoxyphenyl)phenyl]methyl]propanamide
CID 66848573
ethyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 43877540
butyl (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoate
CID 6426993

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate?
The IUPAC name of ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate (CID 139910489) is ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate.
What is the SMILES notation for ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate?
The canonical SMILES for ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate is CCOC(=O)[C@H](Cc1ccc(-c2ccccc2OC)cc1)NC(C)=O.
What is the InChIKey of ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate?
The InChIKey is LGAJJOVRIANFJX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-25-20(23)18(21-14(2)22)13-15-9-11-16(12-10-15)17-7-5-6-8-19(17)24-3/h5-12,18H,4,13H2,1-3H3,(H,21,22)/t18-/m0/s1.
What are the key properties of ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate?
ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate has a molecular weight of 341.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate is sourced from PubChem (CID 139910489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).