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

C23H29NO4 — CID 134015779

IUPACmethyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)Cc1ccc(CC(C)C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H29NO4/c1-16(2)13-17-5-7-18(8-6-17)14-22(25)24-21(15-23(26)28-4)19-9-11-20(27-3)12-10-19/h5-12,16,21H,13-15H2,1-4H3,(H,24,25)
InChIKeyWZIVFKXZLQCOMM-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.86
Rot. Bonds9

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

methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate (PubChem CID 134015779) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate
PubChem CID134015779
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namemethyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)Cc1ccc(CC(C)C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H29NO4/c1-16(2)13-17-5-7-18(8-6-17)14-22(25)24-21(15-23(26)28-4)19-9-11-20(27-3)12-10-19/h5-12,16,21H,13-15H2,1-4H3,(H,24,25)
InChIKeyWZIVFKXZLQCOMM-UHFFFAOYSA-N
XLogP3.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
methyl (3S)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoate
CID 79018358
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate
CID 55436102
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate
CID 42920468
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate?
The IUPAC name of methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate (CID 134015779) is methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate is COC(=O)CC(NC(=O)Cc1ccc(CC(C)C)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate?
The InChIKey is WZIVFKXZLQCOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-16(2)13-17-5-7-18(8-6-17)14-22(25)24-21(15-23(26)28-4)19-9-11-20(27-3)12-10-19/h5-12,16,21H,13-15H2,1-4H3,(H,24,25).
What are the key properties of methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate?
methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate has a molecular weight of 383.49 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate is sourced from PubChem (CID 134015779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).