methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate

C20H23NO4 — CID 110316959

IUPACmethyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C20H23NO4/c1-13(2)18(14-7-11-17(24-3)12-8-14)19(22)21-16-9-5-15(6-10-16)20(23)25-4/h5-13,18H,1-4H3,(H,21,22)
InChIKeyGBXDMARBAVGBHP-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.86
Rot. Bonds6

About methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate

methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate (PubChem CID 110316959) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate
PubChem CID110316959
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C20H23NO4/c1-13(2)18(14-7-11-17(24-3)12-8-14)19(22)21-16-9-5-15(6-10-16)20(23)25-4/h5-13,18H,1-4H3,(H,21,22)
InChIKeyGBXDMARBAVGBHP-UHFFFAOYSA-N
XLogP3.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-(2,3,3-triphenylpropanoylamino)benzoate
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(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 110316901
methyl 4-[(2-bromo-3-methylbutanoyl)amino]benzoate
CID 43346448
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
CID 110316942
formic acid;methyl 4-methoxybenzoate
CID 159779883
methyl 4-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 838061
methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
CID 19203887
methyl 4-[(E)-3-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]benzoate
CID 8637171
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate (CID 110316959) is methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C(c2ccc(OC)cc2)C(C)C)cc1.
What is the InChIKey of methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate?
The InChIKey is GBXDMARBAVGBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(2)18(14-7-11-17(24-3)12-8-14)19(22)21-16-9-5-15(6-10-16)20(23)25-4/h5-13,18H,1-4H3,(H,21,22).
What are the key properties of methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate?
methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-methoxyphenyl)-3-methylbutanoyl]amino]benzoate is sourced from PubChem (CID 110316959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).