methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate

C19H19NO4 — CID 12016834

IUPACmethyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-13-3-5-15(6-4-13)19(23)20-16-9-7-14(8-10-16)17(21)11-12-18(22)24-2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXXIQUTJAFQPENY-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.38
Rot. Bonds6

About methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate

methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate (PubChem CID 12016834) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate
PubChem CID12016834
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-13-3-5-15(6-4-13)19(23)20-16-9-7-14(8-10-16)17(21)11-12-18(22)24-2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXXIQUTJAFQPENY-UHFFFAOYSA-N
XLogP3.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
[4-[(4-methylphenyl)carbamoyl]phenyl] 4-(4-methoxyphenoxy)butanoate
CID 19176404
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(4-methylphenyl)-4-oxobutanoate
CID 55418156
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate?
The IUPAC name of methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate (CID 12016834) is methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate is COC(=O)CCC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate?
The InChIKey is XXIQUTJAFQPENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-3-5-15(6-4-13)19(23)20-16-9-7-14(8-10-16)17(21)11-12-18(22)24-2/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate?
methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate has a molecular weight of 325.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(4-methylbenzoyl)amino]phenyl]-4-oxobutanoate is sourced from PubChem (CID 12016834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).