[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate

C23H25NO4 — CID 4677171

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate
SMILESCC1CCCCC1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H25NO4/c1-15-8-2-5-11-18(15)24-21(25)14-27-23(26)22-16-9-3-6-12-19(16)28-20-13-7-4-10-17(20)22/h3-4,6-7,9-10,12-13,15,18,22H,2,5,8,11,14H2,1H3,(H,24,25)
InChIKeyHIYOXYLXCYHUGI-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.16
Rot. Bonds4

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

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate (PubChem CID 4677171) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate
PubChem CID4677171
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate
SMILESCC1CCCCC1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H25NO4/c1-15-8-2-5-11-18(15)24-21(25)14-27-23(26)22-16-9-3-6-12-19(16)28-20-13-7-4-10-17(20)22/h3-4,6-7,9-10,12-13,15,18,22H,2,5,8,11,14H2,1H3,(H,24,25)
InChIKeyHIYOXYLXCYHUGI-UHFFFAOYSA-N
XLogP4.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
[2-oxo-2-(prop-2-ynylamino)ethyl] 9H-xanthene-9-carboxylate
CID 9201550
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
[2-(cyclopentylamino)-2-oxoethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 47015863
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 11941029
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 46649252
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 11916917
3-O,5-O-diethyl 4-O-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate
CID 32975226
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 4846229
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 46670947
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 5149215
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-benzoylbenzoate
CID 7470473

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate (CID 4677171) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate is CC1CCCCC1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate?
The InChIKey is HIYOXYLXCYHUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-15-8-2-5-11-18(15)24-21(25)14-27-23(26)22-16-9-3-6-12-19(16)28-20-13-7-4-10-17(20)22/h3-4,6-7,9-10,12-13,15,18,22H,2,5,8,11,14H2,1H3,(H,24,25).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate is sourced from PubChem (CID 4677171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).