methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate

C19H21NO4 — CID 36930959

IUPACmethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C19H21NO4/c1-13-12-15(19(22)24-3)7-10-17(13)20-18(21)11-6-14-4-8-16(23-2)9-5-14/h4-5,7-10,12H,6,11H2,1-3H3,(H,20,21)
InChIKeyNIBDGZQUMSNYFV-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.36
Rot. Bonds6

About methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate

methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate (PubChem CID 36930959) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
PubChem CID36930959
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C19H21NO4/c1-13-12-15(19(22)24-3)7-10-17(13)20-18(21)11-6-14-4-8-16(23-2)9-5-14/h4-5,7-10,12H,6,11H2,1-3H3,(H,20,21)
InChIKeyNIBDGZQUMSNYFV-UHFFFAOYSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 100591736
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
methyl 4-(3-bromopropanoylamino)-3-methylbenzoate
CID 13400011
ethyl 4-[3-(4-fluorophenyl)propanoylamino]-3-methylbenzoate
CID 100648056
methyl 3-[3-(4-chlorophenyl)propanoylamino]-4-methylbenzoate
CID 41498932
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505
methyl 4-(6-bromohexanoylamino)-3-methylbenzoate
CID 69206251
methyl 4-chloro-3-[3-[2-(4-methoxyphenyl)ethylamino]propanoylamino]benzoate
CID 109025961
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 2706279
ethyl 4-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-3-methylbenzoate
CID 100591857

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate?
The IUPAC name of methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate (CID 36930959) is methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)c(C)c1.
What is the InChIKey of methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate?
The InChIKey is NIBDGZQUMSNYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-12-15(19(22)24-3)7-10-17(13)20-18(21)11-6-14-4-8-16(23-2)9-5-14/h4-5,7-10,12H,6,11H2,1-3H3,(H,20,21).
What are the key properties of methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate?
methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate has a molecular weight of 327.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate is sourced from PubChem (CID 36930959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).