4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid

C19H20N2O5 — CID 2398082

IUPAC4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid
SMILESCOc1cccc(NC(=O)c2ccccc2N(C)C(=O)CCC(=O)O)c1
InChIInChI=1S/C19H20N2O5/c1-21(17(22)10-11-18(23)24)16-9-4-3-8-15(16)19(25)20-13-6-5-7-14(12-13)26-2/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyOFHIRORZOFMRIC-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.78
Rot. Bonds7

About 4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid

4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid (PubChem CID 2398082) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid
PubChem CID2398082
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid
SMILESCOc1cccc(NC(=O)c2ccccc2N(C)C(=O)CCC(=O)O)c1
InChIInChI=1S/C19H20N2O5/c1-21(17(22)10-11-18(23)24)16-9-4-3-8-15(16)19(25)20-13-6-5-7-14(12-13)26-2/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyOFHIRORZOFMRIC-UHFFFAOYSA-N
XLogP2.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
2-(2-ethoxyethoxy)-N-(3-methoxyphenyl)benzamide
CID 17122713
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid (CID 2398082) is 4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid is COc1cccc(NC(=O)c2ccccc2N(C)C(=O)CCC(=O)O)c1.
What is the InChIKey of 4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid?
The InChIKey is OFHIRORZOFMRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-21(17(22)10-11-18(23)24)16-9-4-3-8-15(16)19(25)20-13-6-5-7-14(12-13)26-2/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of 4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid?
4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid has a molecular weight of 356.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid is sourced from PubChem (CID 2398082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).