methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate

C21H25NO6 — CID 2673308

IUPACmethyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H25NO6/c1-13-6-8-15(21(24)28-5)12-16(13)22-19(23)9-7-14-10-17(25-2)20(27-4)18(11-14)26-3/h6,8,10-12H,7,9H2,1-5H3,(H,22,23)
InChIKeyUQEYCTJOJJRXBR-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.38
Rot. Bonds8

About methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate

methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate (PubChem CID 2673308) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate
PubChem CID2673308
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Namemethyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H25NO6/c1-13-6-8-15(21(24)28-5)12-16(13)22-19(23)9-7-14-10-17(25-2)20(27-4)18(11-14)26-3/h6,8,10-12H,7,9H2,1-5H3,(H,22,23)
InChIKeyUQEYCTJOJJRXBR-UHFFFAOYSA-N
XLogP3.38
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[3-(4-chlorophenyl)propanoylamino]-4-methylbenzoate
CID 41498932
methyl 3-[3-(3,4-diethoxyphenyl)propanoylamino]-4-methylbenzoate
CID 92671993
4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
CID 45428834
methyl 3-(4-hydroxybutanoylamino)-4-methylbenzoate
CID 79204686
methyl 4-methyl-3-(pentanoylamino)benzoate
CID 8920189
N-(2-hydroxy-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9495575
methyl 3-[3-(ethylamino)propanoylamino]-4-methylbenzoate
CID 62833574
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
methyl 4-methyl-3-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 7749173
methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 36930959
N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2711396

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate?
The IUPAC name of methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate (CID 2673308) is methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate is COC(=O)c1ccc(C)c(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate?
The InChIKey is UQEYCTJOJJRXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-13-6-8-15(21(24)28-5)12-16(13)22-19(23)9-7-14-10-17(25-2)20(27-4)18(11-14)26-3/h6,8,10-12H,7,9H2,1-5H3,(H,22,23).
What are the key properties of methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate?
methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate has a molecular weight of 387.43 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 2673308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).