[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate

C19H29NO4 — CID 123225281

IUPAC[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate
SMILESCOCOC(c1ccccc1C)C(C)OC(=O)NC1CCCCC1
InChIInChI=1S/C19H29NO4/c1-14-9-7-8-12-17(14)18(23-13-22-3)15(2)24-19(21)20-16-10-5-4-6-11-16/h7-9,12,15-16,18H,4-6,10-11,13H2,1-3H3,(H,20,21)
InChIKeyTVGKXIIOZVLYTO-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.10
Rot. Bonds7

About [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate

[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate (PubChem CID 123225281) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate
PubChem CID123225281
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate
SMILESCOCOC(c1ccccc1C)C(C)OC(=O)NC1CCCCC1
InChIInChI=1S/C19H29NO4/c1-14-9-7-8-12-17(14)18(23-13-22-3)15(2)24-19(21)20-16-10-5-4-6-11-16/h7-9,12,15-16,18H,4-6,10-11,13H2,1-3H3,(H,20,21)
InChIKeyTVGKXIIOZVLYTO-UHFFFAOYSA-N
XLogP4.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
CID 123827568
[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl] 2-cyclopropylacetate
CID 149458940
N-cycloheptyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]acetamide
CID 81363494
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
CID 123214058
propan-2-yl N-cyclooctylcarbamate
CID 116653938
tert-butyl N-[1-[[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-ethylamino]-1-oxopropan-2-yl]carbamate
CID 18009703
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 100744634
2-(cyclopentylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81380629
N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate
CID 123694763

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate?
The IUPAC name of [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate (CID 123225281) is [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate?
The canonical SMILES for [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate is COCOC(c1ccccc1C)C(C)OC(=O)NC1CCCCC1.
What is the InChIKey of [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate?
The InChIKey is TVGKXIIOZVLYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-14-9-7-8-12-17(14)18(23-13-22-3)15(2)24-19(21)20-16-10-5-4-6-11-16/h7-9,12,15-16,18H,4-6,10-11,13H2,1-3H3,(H,20,21).
What are the key properties of [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate?
[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate has a molecular weight of 335.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate is sourced from PubChem (CID 123225281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).