[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate

C24H25NO3 — CID 4846229

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate
SMILESCC1CCCCC1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H25NO3/c1-16-8-2-7-13-21(16)25-22(26)15-28-24(27)23-19-11-5-3-9-17(19)14-18-10-4-6-12-20(18)23/h3-6,9-12,14,16,21H,2,7-8,13,15H2,1H3,(H,25,26)
InChIKeyLKNVVALXUMSHTN-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.84
Rot. Bonds4

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate (PubChem CID 4846229) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate
PubChem CID4846229
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate
SMILESCC1CCCCC1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H25NO3/c1-16-8-2-7-13-21(16)25-22(26)15-28-24(27)23-19-11-5-3-9-17(19)14-18-10-4-6-12-20(18)23/h3-6,9-12,14,16,21H,2,7-8,13,15H2,1H3,(H,25,26)
InChIKeyLKNVVALXUMSHTN-UHFFFAOYSA-N
XLogP4.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate 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-(cyclopentylamino)-2-oxoethyl] anthracene-9-carboxylate
CID 2511548
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825196
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 5149215
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889895
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009469
N-[(1S,2R)-2-methylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 2504510
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-1-carboxylate
CID 8707372
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8606559
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 2385493
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7785508
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] naphthalene-1-carboxylate
CID 3559512

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate (CID 4846229) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate is CC1CCCCC1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate?
The InChIKey is LKNVVALXUMSHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-16-8-2-7-13-21(16)25-22(26)15-28-24(27)23-19-11-5-3-9-17(19)14-18-10-4-6-12-20(18)23/h3-6,9-12,14,16,21H,2,7-8,13,15H2,1H3,(H,25,26).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate is sourced from PubChem (CID 4846229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).