tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate

C23H36N2O3 — CID 155935100

IUPACtert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate
SMILESCN(CC(C)(CC(=O)NC1CCCCC1)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H36N2O3/c1-22(2,3)28-21(27)25(5)17-23(4,18-12-8-6-9-13-18)16-20(26)24-19-14-10-7-11-15-19/h6,8-9,12-13,19H,7,10-11,14-17H2,1-5H3,(H,24,26)
InChIKeyHYLTZPASPPWEJR-UHFFFAOYSA-N
MW388.55 g/mol
LogP4.65
Rot. Bonds6

About tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate

tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate (PubChem CID 155935100) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate
PubChem CID155935100
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Nametert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate
SMILESCN(CC(C)(CC(=O)NC1CCCCC1)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H36N2O3/c1-22(2,3)28-21(27)25(5)17-23(4,18-12-8-6-9-13-18)16-20(26)24-19-14-10-7-11-15-19/h6,8-9,12-13,19H,7,10-11,14-17H2,1-5H3,(H,24,26)
InChIKeyHYLTZPASPPWEJR-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110025114
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2676355
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N'-benzyl-N-cyclododecyl-N'-methyloxamide
CID 108517350
N'-benzyl-N-cyclopentyl-N'-methylpropanediamide
CID 108942140
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954502
ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate
CID 2968364
benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
tert-butyl N-[(2S)-3-cyclohexyl-2-(dibenzylamino)propyl]-N-methylcarbamate
CID 141276838

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate (CID 155935100) is tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate is CN(CC(C)(CC(=O)NC1CCCCC1)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate?
The InChIKey is HYLTZPASPPWEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-22(2,3)28-21(27)25(5)17-23(4,18-12-8-6-9-13-18)16-20(26)24-19-14-10-7-11-15-19/h6,8-9,12-13,19H,7,10-11,14-17H2,1-5H3,(H,24,26).
What are the key properties of tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate?
tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate has a molecular weight of 388.55 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(cyclohexylamino)-2-methyl-4-oxo-2-phenylbutyl]-N-methylcarbamate is sourced from PubChem (CID 155935100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).