[1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate

C20H31NO3 — CID 148872501

IUPAC[1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate
SMILESCOc1ccc(CC(C)(C)OC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C20H31NO3/c1-20(2,15-16-11-13-18(23-3)14-12-16)24-19(22)21-17-9-7-5-4-6-8-10-17/h11-14,17H,4-10,15H2,1-3H3,(H,21,22)
InChIKeyPBLONRRDAXAAQL-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.86
Rot. Bonds5

About [1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate

[1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate (PubChem CID 148872501) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate
PubChem CID148872501
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name[1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate
SMILESCOc1ccc(CC(C)(C)OC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C20H31NO3/c1-20(2,15-16-11-13-18(23-3)14-12-16)24-19(22)21-17-9-7-5-4-6-8-10-17/h11-14,17H,4-10,15H2,1-3H3,(H,21,22)
InChIKeyPBLONRRDAXAAQL-UHFFFAOYSA-N
XLogP4.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964428
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110287969
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
(6-ethylnaphthalen-2-yl) N-cyclohexylcarbamate
CID 11098519
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 42900696
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 53256445
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate?
The IUPAC name of [1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate (CID 148872501) is [1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate.
What is the SMILES notation for [1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate?
The canonical SMILES for [1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate is COc1ccc(CC(C)(C)OC(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate?
The InChIKey is PBLONRRDAXAAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-20(2,15-16-11-13-18(23-3)14-12-16)24-19(22)21-17-9-7-5-4-6-8-10-17/h11-14,17H,4-10,15H2,1-3H3,(H,21,22).
What are the key properties of [1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate?
[1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate has a molecular weight of 333.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate is sourced from PubChem (CID 148872501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).