cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium

C16H24N3O2+ — CID 7509463

IUPACcyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
SMILESCNC(=O)NC(=O)[C@H]([NH2+]C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-17-16(21)19-15(20)14(12-8-4-2-5-9-12)18-13-10-6-3-7-11-13/h2,4-5,8-9,13-14,18H,3,6-7,10-11H2,1H3,(H2,17,19,20,21)/p+1/t14-/m1/s1
InChIKeyDSTHATPYXSLEJU-CQSZACIVSA-O
MW290.39 g/mol
LogP1.08
Rot. Bonds4

About cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium

cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium (PubChem CID 7509463) has the molecular formula C16H24N3O2+ and a molecular weight of 290.39 g/mol. Its IUPAC name is cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
PubChem CID7509463
Molecular FormulaC16H24N3O2+
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Namecyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
SMILESCNC(=O)NC(=O)[C@H]([NH2+]C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-17-16(21)19-15(20)14(12-8-4-2-5-9-12)18-13-10-6-3-7-11-13/h2,4-5,8-9,13-14,18H,3,6-7,10-11H2,1H3,(H2,17,19,20,21)/p+1/t14-/m1/s1
InChIKeyDSTHATPYXSLEJU-CQSZACIVSA-O
XLogP1.08
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8596066
cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8967736
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722501
(2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide
CID 95302028
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7928623
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-cyclooctylazanium
CID 2440711
N-(methylcarbamoyl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 51167810
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 7928894
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8992353
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391970
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1S,2R)-2-methylcyclohexyl]azanium
CID 8644729
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391958

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium (CID 7509463) is cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium is CNC(=O)NC(=O)[C@H]([NH2+]C1CCCCC1)c1ccccc1.
What is the InChIKey of cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
The InChIKey is DSTHATPYXSLEJU-CQSZACIVSA-O. The full InChI is InChI=1S/C16H23N3O2/c1-17-16(21)19-15(20)14(12-8-4-2-5-9-12)18-13-10-6-3-7-11-13/h2,4-5,8-9,13-14,18H,3,6-7,10-11H2,1H3,(H2,17,19,20,21)/p+1/t14-/m1/s1.
What are the key properties of cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium has a molecular weight of 290.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 7509463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).