[4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate

C27H27NO4 — CID 58831299

IUPAC[4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate
SMILESC=CC(=O)C(O)CCCCC(=O)Oc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H27NO4/c1-2-25(29)26(30)15-9-10-16-27(31)32-24-19-17-23(18-20-24)28(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h2-8,11-14,17-20,26,30H,1,9-10,15-16H2
InChIKeyJTNIQOZPJYNAAE-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.74
Rot. Bonds11

About [4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate

[4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate (PubChem CID 58831299) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is [4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate.

Molecular Properties

Compound Name[4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate
PubChem CID58831299
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name[4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate
SMILESC=CC(=O)C(O)CCCCC(=O)Oc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H27NO4/c1-2-25(29)26(30)15-9-10-16-27(31)32-24-19-17-23(18-20-24)28(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h2-8,11-14,17-20,26,30H,1,9-10,15-16H2
InChIKeyJTNIQOZPJYNAAE-UHFFFAOYSA-N
XLogP5.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(N-phenylanilino)phenyl] 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58800664
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate
CID 59745963
diphenyl nonanedioate
CID 18428919
[4-[N-[4-(1-hydroxypropoxy)phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl] prop-2-enoate
CID 58090228
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-[N-[3,5-bis(N-phenylanilino)phenyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520163
4-hydroxy-6-triphenoxysilylhex-1-en-3-one
CID 66628356
phenyl 6-hydroxy-8-phenyloctanoate
CID 561941
[6-[4-(N-phenylanilino)-N-(6-prop-2-enoyloxynaphthalen-2-yl)anilino]naphthalen-2-yl] prop-2-enoate
CID 58520027
[4-[4-[N-[[4-(N-phenylanilino)phenyl]methyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520157

Frequently Asked Questions

What is the IUPAC name of [4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate?
The IUPAC name of [4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate (CID 58831299) is [4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate.
What is the SMILES notation for [4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate?
The canonical SMILES for [4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate is C=CC(=O)C(O)CCCCC(=O)Oc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate?
The InChIKey is JTNIQOZPJYNAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4/c1-2-25(29)26(30)15-9-10-16-27(31)32-24-19-17-23(18-20-24)28(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h2-8,11-14,17-20,26,30H,1,9-10,15-16H2.
What are the key properties of [4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate?
[4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate has a molecular weight of 429.52 g/mol, XLogP of 5.74, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-phenylanilino)phenyl] 6-hydroxy-7-oxonon-8-enoate is sourced from PubChem (CID 58831299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).