6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one

C19H22N2O2 — CID 70386952

IUPAC6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(O)CNc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-14(2)19(23)12-18(22)13-20-15-8-10-17(11-9-15)21-16-6-4-3-5-7-16/h3-11,18,20-22H,1,12-13H2,2H3
InChIKeyOZEAGIPXBBUULR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.74
Rot. Bonds8

About 6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one

6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one (PubChem CID 70386952) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one
PubChem CID70386952
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(O)CNc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-14(2)19(23)12-18(22)13-20-15-8-10-17(11-9-15)21-16-6-4-3-5-7-16/h3-11,18,20-22H,1,12-13H2,2H3
InChIKeyOZEAGIPXBBUULR-UHFFFAOYSA-N
XLogP3.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[3-(4-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate;1-N-cyclohexyl-4-N-phenylbenzene-1,4-diamine
CID 158491321
3-hydroxy-4-(4-methylsulfanylanilino)butanoic acid
CID 103232546
[3-(2-anilinoanilino)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 154035424
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
1-anilino-3-chloropropan-2-ol
CID 3640254
2-(3-anilino-2-hydroxypropoxy)iminopropanoic acid
CID 54315431
5-hydroxy-2-methyl-6-(4-phenylphenoxy)hex-1-en-3-one
CID 139744476
[3-[4-(4-cyclohexylanilino)anilino]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 54175342
2-methyl-3-(4-phenylanilino)propanoic acid
CID 62253496
methyl 3-hydroxy-4-(4-methylsulfanylanilino)butanoate
CID 115123225
3-[4-(1-phenylethenyl)anilino]propane-1,2-diol
CID 168594472
3-(4-anilinoanilino)propanoic acid
CID 54336200

Frequently Asked Questions

What is the IUPAC name of 6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one?
The IUPAC name of 6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one (CID 70386952) is 6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one?
The canonical SMILES for 6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one is C=C(C)C(=O)CC(O)CNc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one?
The InChIKey is OZEAGIPXBBUULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(2)19(23)12-18(22)13-20-15-8-10-17(11-9-15)21-16-6-4-3-5-7-16/h3-11,18,20-22H,1,12-13H2,2H3.
What are the key properties of 6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one?
6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one has a molecular weight of 310.40 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-anilinoanilino)-5-hydroxy-2-methylhex-1-en-3-one is sourced from PubChem (CID 70386952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).