2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde

C24H24N2O3 — CID 142180485

IUPAC2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde
SMILESC=C1C(=O)C(Nc2cccc(C=O)c2O)=C1NC1CCCCC1c1ccccc1
InChIInChI=1S/C24H24N2O3/c1-15-21(22(23(15)28)26-20-13-7-10-17(14-27)24(20)29)25-19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-4,7-10,13-14,18-19,25-26,29H,1,5-6,11-12H2
InChIKeyLUTYRXWDZQVQQX-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.28
Rot. Bonds6

About 2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde

2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde (PubChem CID 142180485) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde
PubChem CID142180485
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde
SMILESC=C1C(=O)C(Nc2cccc(C=O)c2O)=C1NC1CCCCC1c1ccccc1
InChIInChI=1S/C24H24N2O3/c1-15-21(22(23(15)28)26-20-13-7-10-17(14-27)24(20)29)25-19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-4,7-10,13-14,18-19,25-26,29H,1,5-6,11-12H2
InChIKeyLUTYRXWDZQVQQX-UHFFFAOYSA-N
XLogP4.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde 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

3-[[2-(cyclohexylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzaldehyde;N,N-dimethylmethanamine
CID 142180811
3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
3-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-2-hydroxybenzaldehyde;ethane;1-methylpyrrolidin-3-ol
CID 142810438
N'-[(1R,2S)-2-phenylcyclohexyl]benzohydrazide
CID 125468545
6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine
CID 116813035
[(2S)-2-phenylcyclohexyl]urea
CID 141176309
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
3,5-difluoro-N-(2-phenylcyclohexyl)aniline
CID 43765027
2,5-dimethyl-N-(2-phenylcyclohexyl)aniline
CID 43765908
2,4-dibromo-N-(2-phenylcyclohexyl)aniline
CID 63427209
1-amino-N-(2-phenylcyclopentyl)cyclopropane-1-carboxamide
CID 119783047

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde?
The IUPAC name of 2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde (CID 142180485) is 2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde?
The canonical SMILES for 2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde is C=C1C(=O)C(Nc2cccc(C=O)c2O)=C1NC1CCCCC1c1ccccc1.
What is the InChIKey of 2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde?
The InChIKey is LUTYRXWDZQVQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-15-21(22(23(15)28)26-20-13-7-10-17(14-27)24(20)29)25-19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-4,7-10,13-14,18-19,25-26,29H,1,5-6,11-12H2.
What are the key properties of 2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde?
2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde has a molecular weight of 388.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[3-methylidene-4-oxo-2-[(2-phenylcyclohexyl)amino]cyclobuten-1-yl]amino]benzaldehyde is sourced from PubChem (CID 142180485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).