4-(4-anilinoanilino)-4-oxobutanoic acid

C16H16N2O3 — CID 3582838

IUPAC4-(4-anilinoanilino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c19-15(10-11-16(20)21)18-14-8-6-13(7-9-14)17-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19)(H,20,21)
InChIKeyBROJDHDMRXJNGS-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.23
Rot. Bonds6

About 4-(4-anilinoanilino)-4-oxobutanoic acid

4-(4-anilinoanilino)-4-oxobutanoic acid (PubChem CID 3582838) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(4-anilinoanilino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-anilinoanilino)-4-oxobutanoic acid
PubChem CID3582838
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-(4-anilinoanilino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c19-15(10-11-16(20)21)18-14-8-6-13(7-9-14)17-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19)(H,20,21)
InChIKeyBROJDHDMRXJNGS-UHFFFAOYSA-N
XLogP3.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-anilinoanilino)-4-oxobutanoate
CID 730573
4-[4-[4-(3-carboxypropanoylamino)phenyl]anilino]-4-oxobutanoic acid
CID 18877617
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
3-fluoro-N-phenylpropanamide
CID 70366284
4-oxo-4-(4-pyrrol-1-ylanilino)butanoic acid
CID 110471076
4-oxo-N,4-diphenylbutanamide
CID 825307

Frequently Asked Questions

What is the IUPAC name of 4-(4-anilinoanilino)-4-oxobutanoic acid?
The IUPAC name of 4-(4-anilinoanilino)-4-oxobutanoic acid (CID 3582838) is 4-(4-anilinoanilino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-anilinoanilino)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-anilinoanilino)-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-(4-anilinoanilino)-4-oxobutanoic acid?
The InChIKey is BROJDHDMRXJNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(10-11-16(20)21)18-14-8-6-13(7-9-14)17-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19)(H,20,21).
What are the key properties of 4-(4-anilinoanilino)-4-oxobutanoic acid?
4-(4-anilinoanilino)-4-oxobutanoic acid has a molecular weight of 284.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinoanilino)-4-oxobutanoic acid is sourced from PubChem (CID 3582838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).