methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate

C20H23NO4 — CID 42920468

IUPACmethyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)Cc1cccc(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C20H23NO4/c1-14-7-9-16(10-8-14)18(13-20(23)25-3)21-19(22)12-15-5-4-6-17(11-15)24-2/h4-11,18H,12-13H2,1-3H3,(H,21,22)
InChIKeyMNCICFJUUUDTMZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.97
Rot. Bonds7

About methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate

methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate (PubChem CID 42920468) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate
PubChem CID42920468
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)Cc1cccc(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C20H23NO4/c1-14-7-9-16(10-8-14)18(13-20(23)25-3)21-19(22)12-15-5-4-6-17(11-15)24-2/h4-11,18H,12-13H2,1-3H3,(H,21,22)
InChIKeyMNCICFJUUUDTMZ-UHFFFAOYSA-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

Analyze methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate with MolForge

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Related Compounds

2-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 25494188
(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63306930
N-[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 143753176
methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate
CID 55914760
2-(3-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054231
methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate
CID 134015779
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
N-[1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 43009880
methyl 3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-3-phenylpropanoate
CID 71944020
methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate
CID 55440381

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate (CID 42920468) is methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate is COC(=O)CC(NC(=O)Cc1cccc(OC)c1)c1ccc(C)cc1.
What is the InChIKey of methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate?
The InChIKey is MNCICFJUUUDTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-7-9-16(10-8-14)18(13-20(23)25-3)21-19(22)12-15-5-4-6-17(11-15)24-2/h4-11,18H,12-13H2,1-3H3,(H,21,22).
What are the key properties of methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate?
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)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 methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 42920468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).