[2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate

C24H25NO4 — CID 6487935

IUPAC[2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
SMILESO=C(OC(C(=O)NC1CCCCC1)c1ccccc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C24H25NO4/c26-23(25-20-12-5-2-6-13-20)22(17-9-3-1-4-10-17)29-24(27)19-15-18-11-7-8-14-21(18)28-16-19/h1,3-4,7-11,14-15,20,22H,2,5-6,12-13,16H2,(H,25,26)
InChIKeyCLGHAQSMBUXYIF-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.20
Rot. Bonds5

About [2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate

[2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate (PubChem CID 6487935) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
PubChem CID6487935
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name[2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
SMILESO=C(OC(C(=O)NC1CCCCC1)c1ccccc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C24H25NO4/c26-23(25-20-12-5-2-6-13-20)22(17-9-3-1-4-10-17)29-24(27)19-15-18-11-7-8-14-21(18)28-16-19/h1,3-4,7-11,14-15,20,22H,2,5-6,12-13,16H2,(H,25,26)
InChIKeyCLGHAQSMBUXYIF-UHFFFAOYSA-N
XLogP4.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
CID 8747959
[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 1444651
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745772
N-cyclooctyl-2H-chromene-3-carboxamide
CID 22578430
N-cyclohexyl-2H-chromene-3-carboxamide
CID 9043314
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
[(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate
CID 3231535
[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2H-chromene-3-carboxylate
CID 8748933
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745614
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687837
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate (CID 6487935) is [2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate is O=C(OC(C(=O)NC1CCCCC1)c1ccccc1)C1=Cc2ccccc2OC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate?
The InChIKey is CLGHAQSMBUXYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c26-23(25-20-12-5-2-6-13-20)22(17-9-3-1-4-10-17)29-24(27)19-15-18-11-7-8-14-21(18)28-16-19/h1,3-4,7-11,14-15,20,22H,2,5-6,12-13,16H2,(H,25,26).
What are the key properties of [2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate?
[2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 6487935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).