[1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride

C24H32ClNO2 — CID 24843488

IUPAC[1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride
SMILESCC(C)(CNC1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H31NO2.ClH/c1-24(2,18-25-21-16-10-5-11-17-21)27-23(26)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20;/h3-4,6-9,12-15,21-22,25H,5,10-11,16-18H2,1-2H3;1H
InChIKeyZJBQHXXGRMUUND-UHFFFAOYSA-N
MW401.98 g/mol
LogP5.48
Rot. Bonds7

About [1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride

[1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride (PubChem CID 24843488) has the molecular formula C24H32ClNO2 and a molecular weight of 401.98 g/mol. Its IUPAC name is [1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name[1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride
PubChem CID24843488
Molecular FormulaC24H32ClNO2
Molecular Weight401.98 g/mol
Exact Mass401.21
IUPAC Name[1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride
SMILESCC(C)(CNC1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H31NO2.ClH/c1-24(2,18-25-21-16-10-5-11-17-21)27-23(26)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20;/h3-4,6-9,12-15,21-22,25H,5,10-11,16-18H2,1-2H3;1H
InChIKeyZJBQHXXGRMUUND-UHFFFAOYSA-N
XLogP5.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.98
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride with MolForge

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Related Compounds

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(3R)-N-cyclohexyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
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N-[2-(cycloheptylamino)ethyl]-2-methoxy-2-phenylacetamide;hydrochloride
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2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate
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N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
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ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
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2-[2-(cycloheptylamino)-2-oxo-1-phenylethyl]benzamide
CID 68907898
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate;hydrochloride
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[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride?
The IUPAC name of [1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride (CID 24843488) is [1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for [1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride?
The canonical SMILES for [1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride is CC(C)(CNC1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of [1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride?
The InChIKey is ZJBQHXXGRMUUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2.ClH/c1-24(2,18-25-21-16-10-5-11-17-21)27-23(26)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20;/h3-4,6-9,12-15,21-22,25H,5,10-11,16-18H2,1-2H3;1H.
What are the key properties of [1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride?
[1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride has a molecular weight of 401.98 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 24843488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).