[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

C20H24N2O5 — CID 8745772

IUPAC[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESC[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H24N2O5/c1-13(18(23)22-20(25)21-16-8-3-2-4-9-16)27-19(24)15-11-14-7-5-6-10-17(14)26-12-15/h5-7,10-11,13,16H,2-4,8-9,12H2,1H3,(H2,21,22,23,25)/t13-/m0/s1
InChIKeyVIHGWZIAEPARBO-ZDUSSCGKSA-N
MW372.42 g/mol
LogP2.55
Rot. Bonds4

About [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (PubChem CID 8745772) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
PubChem CID8745772
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESC[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H24N2O5/c1-13(18(23)22-20(25)21-16-8-3-2-4-9-16)27-19(24)15-11-14-7-5-6-10-17(14)26-12-15/h5-7,10-11,13,16H,2-4,8-9,12H2,1H3,(H2,21,22,23,25)/t13-/m0/s1
InChIKeyVIHGWZIAEPARBO-ZDUSSCGKSA-N
XLogP2.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745614
[2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
CID 6487935
[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 1444651
N-cyclooctyl-2H-chromene-3-carboxamide
CID 22578430
N-cyclohexyl-2H-chromene-3-carboxamide
CID 9043314
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 40616563
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
CID 8747959
[(2S)-1-amino-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745641
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133587
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476830
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate
CID 8744452
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2H-chromene-3-carboxylate
CID 7441797

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (CID 8745772) is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The canonical SMILES for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is C[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The InChIKey is VIHGWZIAEPARBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(18(23)22-20(25)21-16-8-3-2-4-9-16)27-19(24)15-11-14-7-5-6-10-17(14)26-12-15/h5-7,10-11,13,16H,2-4,8-9,12H2,1H3,(H2,21,22,23,25)/t13-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8745772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).