4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione

C18H21NO2 — CID 118284103

IUPAC4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione
SMILESCC(C)C1=CC(=O)C(=O)C=C1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-11(2)13-5-7-14(8-6-13)19-16-10-18(21)17(20)9-15(16)12(3)4/h5-12,19H,1-4H3
InChIKeyZJLVTLXUSDOJQH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.84
Rot. Bonds4

About 4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione

4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione (PubChem CID 118284103) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione.

Molecular Properties

Compound Name4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione
PubChem CID118284103
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione
SMILESCC(C)C1=CC(=O)C(=O)C=C1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-11(2)13-5-7-14(8-6-13)19-16-10-18(21)17(20)9-15(16)12(3)4/h5-12,19H,1-4H3
InChIKeyZJLVTLXUSDOJQH-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione 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

2,3-dimethyl-5-(4-propan-2-ylanilino)cyclohexa-2,5-diene-1,4-dione
CID 11219411
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097
4-(4-propan-2-ylanilino)phenol
CID 21326552
N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
CID 112986651
(4-propan-2-ylphenyl)hydrazine
CID 2733249
2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
CID 121004901
1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine
CID 66018377
cumene;N-phenylaniline
CID 22645781
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
2-fluoro-N-(4-propan-2-ylphenyl)aniline
CID 155290026
(4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride
CID 18702305

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione?
The IUPAC name of 4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione (CID 118284103) is 4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione.
What is the SMILES notation for 4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione?
The canonical SMILES for 4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione is CC(C)C1=CC(=O)C(=O)C=C1Nc1ccc(C(C)C)cc1.
What is the InChIKey of 4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione?
The InChIKey is ZJLVTLXUSDOJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11(2)13-5-7-14(8-6-13)19-16-10-18(21)17(20)9-15(16)12(3)4/h5-12,19H,1-4H3.
What are the key properties of 4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione?
4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione has a molecular weight of 283.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-(4-propan-2-ylanilino)cyclohexa-3,5-diene-1,2-dione is sourced from PubChem (CID 118284103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).