methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate

C23H27NO5 — CID 55914760

IUPACmethyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)CCCC(=O)c1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H27NO5/c1-16-7-9-17(10-8-16)20(15-23(27)29-3)24-22(26)6-4-5-21(25)18-11-13-19(28-2)14-12-18/h7-14,20H,4-6,15H2,1-3H3,(H,24,26)
InChIKeyWYNWXASUVUBLJY-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.78
Rot. Bonds10

About methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate

methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate (PubChem CID 55914760) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate
PubChem CID55914760
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Namemethyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)CCCC(=O)c1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H27NO5/c1-16-7-9-17(10-8-16)20(15-23(27)29-3)24-22(26)6-4-5-21(25)18-11-13-19(28-2)14-12-18/h7-14,20H,4-6,15H2,1-3H3,(H,24,26)
InChIKeyWYNWXASUVUBLJY-UHFFFAOYSA-N
XLogP3.78
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate with MolForge

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
methyl 3-[4-(4-methoxyphenoxy)butanoylamino]-3-phenylpropanoate
CID 46637530
methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate
CID 9333199
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate
CID 42920468
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide
CID 171817090
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
3-(3,4-dimethoxyphenyl)-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoic acid
CID 119166945
methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 51110901
methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55821846

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate (CID 55914760) is methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate is COC(=O)CC(NC(=O)CCCC(=O)c1ccc(OC)cc1)c1ccc(C)cc1.
What is the InChIKey of methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate?
The InChIKey is WYNWXASUVUBLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-16-7-9-17(10-8-16)20(15-23(27)29-3)24-22(26)6-4-5-21(25)18-11-13-19(28-2)14-12-18/h7-14,20H,4-6,15H2,1-3H3,(H,24,26).
What are the key properties of methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate?
methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate has a molecular weight of 397.47 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 55914760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).