[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C23H29NO6 — CID 8858957

IUPAC[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCCN(C(=O)[C@@H](C)OC(=O)COc1ccc2c(C)cc(=O)oc2c1)C1CCCCC1
InChIInChI=1S/C23H29NO6/c1-4-24(17-8-6-5-7-9-17)23(27)16(3)29-22(26)14-28-18-10-11-19-15(2)12-21(25)30-20(19)13-18/h10-13,16-17H,4-9,14H2,1-3H3/t16-/m1/s1
InChIKeyYYEXXTCCYATOEK-MRXNPFEDSA-N
MW415.49 g/mol
LogP3.59
Rot. Bonds7

About [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 8858957) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID8858957
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Name[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCCN(C(=O)[C@@H](C)OC(=O)COc1ccc2c(C)cc(=O)oc2c1)C1CCCCC1
InChIInChI=1S/C23H29NO6/c1-4-24(17-8-6-5-7-9-17)23(27)16(3)29-22(26)14-28-18-10-11-19-15(2)12-21(25)30-20(19)13-18/h10-13,16-17H,4-9,14H2,1-3H3/t16-/m1/s1
InChIKeyYYEXXTCCYATOEK-MRXNPFEDSA-N
XLogP3.59
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate with MolForge

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Related Compounds

N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2445277
[(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844211
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844178
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 11934407
N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191715
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8858747
N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 51139898
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844075
N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide
CID 4816840
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 8858957) is [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is CCN(C(=O)[C@@H](C)OC(=O)COc1ccc2c(C)cc(=O)oc2c1)C1CCCCC1.
What is the InChIKey of [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is YYEXXTCCYATOEK-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29NO6/c1-4-24(17-8-6-5-7-9-17)23(27)16(3)29-22(26)14-28-18-10-11-19-15(2)12-21(25)30-20(19)13-18/h10-13,16-17H,4-9,14H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 415.49 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 8858957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).