[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate

C20H29NO4 — CID 123827568

IUPAC[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
SMILESCOCOC(c1ccccc1C)C(C)OC(=O)NC1CC2CCC1C2
InChIInChI=1S/C20H29NO4/c1-13-6-4-5-7-17(13)19(24-12-23-3)14(2)25-20(22)21-18-11-15-8-9-16(18)10-15/h4-7,14-16,18-19H,8-12H2,1-3H3,(H,21,22)
InChIKeyJZRVMMWWRBRFKE-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.96
Rot. Bonds7

About [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate

[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate (PubChem CID 123827568) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate.

Molecular Properties

Compound Name[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
PubChem CID123827568
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
SMILESCOCOC(c1ccccc1C)C(C)OC(=O)NC1CC2CCC1C2
InChIInChI=1S/C20H29NO4/c1-13-6-4-5-7-17(13)19(24-12-23-3)14(2)25-20(22)21-18-11-15-8-9-16(18)10-15/h4-7,14-16,18-19H,8-12H2,1-3H3,(H,21,22)
InChIKeyJZRVMMWWRBRFKE-UHFFFAOYSA-N
XLogP3.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.96
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-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
CID 123526733
[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate
CID 123225281
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide
CID 100581699
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
[(1S,2S)-1-(2-iodophenyl)-1-(methoxymethoxy)-3-methylbutan-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 161260081
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
CID 880138
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide
CID 43916086
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
CID 123214058
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-phenylacetamide
CID 129445975
N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
CID 80710467
(2S)-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylpropanamide
CID 881755
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide
CID 124834114

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate?
The IUPAC name of [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate (CID 123827568) is [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate.
What is the SMILES notation for [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate?
The canonical SMILES for [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate is COCOC(c1ccccc1C)C(C)OC(=O)NC1CC2CCC1C2.
What is the InChIKey of [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate?
The InChIKey is JZRVMMWWRBRFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-13-6-4-5-7-17(13)19(24-12-23-3)14(2)25-20(22)21-18-11-15-8-9-16(18)10-15/h4-7,14-16,18-19H,8-12H2,1-3H3,(H,21,22).
What are the key properties of [1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate?
[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate has a molecular weight of 347.46 g/mol, XLogP of 3.96, 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-(2-bicyclo[2.2.1]heptanyl)carbamate is sourced from PubChem (CID 123827568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).