[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate

C19H21NO5 — CID 5106311

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCC1CCCCC1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H21NO5/c1-12-6-2-4-8-14(12)20-18(22)11-24-19(23)17-10-15(21)13-7-3-5-9-16(13)25-17/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3,(H,20,22)
InChIKeyVARHGDRRVRKXCW-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.64
Rot. Bonds4

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 5106311) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID5106311
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCC1CCCCC1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H21NO5/c1-12-6-2-4-8-14(12)20-18(22)11-24-19(23)17-10-15(21)13-7-3-5-9-16(13)25-17/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3,(H,20,22)
InChIKeyVARHGDRRVRKXCW-UHFFFAOYSA-N
XLogP2.64
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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[2-(Cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
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2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 5106311) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is CC1CCCCC1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is VARHGDRRVRKXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-6-2-4-8-14(12)20-18(22)11-24-19(23)17-10-15(21)13-7-3-5-9-16(13)25-17/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3,(H,20,22).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 5106311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).