[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate

C20H22N2O6 — CID 7968487

IUPAC[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
SMILESC[C@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H22N2O6/c1-12(18(24)22-20(26)21-13-7-3-2-4-8-13)27-19(25)17-11-15(23)14-9-5-6-10-16(14)28-17/h5-6,9-13H,2-4,7-8H2,1H3,(H2,21,22,24,26)/t12-/m0/s1
InChIKeyOUYGMGLWGBBOEL-LBPRGKRZSA-N
MW386.40 g/mol
LogP2.50
Rot. Bonds4

About [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate (PubChem CID 7968487) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
PubChem CID7968487
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
SMILESC[C@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H22N2O6/c1-12(18(24)22-20(26)21-13-7-3-2-4-8-13)27-19(25)17-11-15(23)14-9-5-6-10-16(14)28-17/h5-6,9-13H,2-4,7-8H2,1H3,(H2,21,22,24,26)/t12-/m0/s1
InChIKeyOUYGMGLWGBBOEL-LBPRGKRZSA-N
XLogP2.50
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 2630507
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877268
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 7968395
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761842
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 40616563
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 7968492
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 42969499
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476830
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373033
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 7844460
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373032
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 9003218

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate (CID 7968487) is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate is C[C@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The InChIKey is OUYGMGLWGBBOEL-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-12(18(24)22-20(26)21-13-7-3-2-4-8-13)27-19(25)17-11-15(23)14-9-5-6-10-16(14)28-17/h5-6,9-13H,2-4,7-8H2,1H3,(H2,21,22,24,26)/t12-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 7968487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).