4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid

C18H18N2O5 — CID 851954

IUPAC4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)O
InChIInChI=1S/C18H18N2O5/c1-25-15-9-5-4-8-14(15)20-18(24)12-6-2-3-7-13(12)19-16(21)10-11-17(22)23/h2-9H,10-11H2,1H3,(H,19,21)(H,20,24)(H,22,23)
InChIKeyHYXHUXWZVUPALW-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.75
Rot. Bonds7

About 4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid

4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid (PubChem CID 851954) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid
PubChem CID851954
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)O
InChIInChI=1S/C18H18N2O5/c1-25-15-9-5-4-8-14(15)20-18(24)12-6-2-3-7-13(12)19-16(21)10-11-17(22)23/h2-9H,10-11H2,1H3,(H,19,21)(H,20,24)(H,22,23)
InChIKeyHYXHUXWZVUPALW-UHFFFAOYSA-N
XLogP2.75
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-[2-[(2-methoxyphenyl)carbamoyl]phenyl]butanediamide
CID 2421246
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
2-[(2,2-diphenylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 990917
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
CID 18929239
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid (CID 851954) is 4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid is COc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The InChIKey is HYXHUXWZVUPALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-25-15-9-5-4-8-14(15)20-18(24)12-6-2-3-7-13(12)19-16(21)10-11-17(22)23/h2-9H,10-11H2,1H3,(H,19,21)(H,20,24)(H,22,23).
What are the key properties of 4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid?
4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid has a molecular weight of 342.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid is sourced from PubChem (CID 851954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).