methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate

C19H19NO5 — CID 110424348

IUPACmethyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H19NO5/c1-24-16-5-3-4-14(12-16)17(21)10-11-18(22)20-15-8-6-13(7-9-15)19(23)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyHCSHTSYVIZAXMN-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.08
Rot. Bonds7

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

methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate (PubChem CID 110424348) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
PubChem CID110424348
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H19NO5/c1-24-16-5-3-4-14(12-16)17(21)10-11-18(22)20-15-8-6-13(7-9-15)19(23)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyHCSHTSYVIZAXMN-UHFFFAOYSA-N
XLogP3.08
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate with MolForge

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110424715
N-(2-anilino-2-oxoethyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110624279
methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 26583191
N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110426251
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110606227
[2-(3-methoxyphenyl)-2-oxoethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3850666
methyl 4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzoate
CID 1347180
4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110607947
methyl 4-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]benzoate
CID 9068843
N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110627267
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
methyl 4-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]benzoate
CID 40724039

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate (CID 110424348) is methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CCC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate?
The InChIKey is HCSHTSYVIZAXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-24-16-5-3-4-14(12-16)17(21)10-11-18(22)20-15-8-6-13(7-9-15)19(23)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,22).
What are the key properties of methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate?
methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate has a molecular weight of 341.36 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate is sourced from PubChem (CID 110424348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).