(5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate

C17H25NO2 — CID 134151064

IUPAC(5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate
SMILESCc1ccc(C(C)C)c(OC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,18,19)
InChIKeyZUIZKHHCGGEGDJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.54
Rot. Bonds3

About (5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate

(5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate (PubChem CID 134151064) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate
PubChem CID134151064
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate
SMILESCc1ccc(C(C)C)c(OC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,18,19)
InChIKeyZUIZKHHCGGEGDJ-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
1-cyclohexyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 1181912
N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650924
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78767495
1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
CID 104748451
1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593407
1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153648
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]acetamide
CID 63366475
N-cyclopentyl-2-[[4-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3465221
(5-methyl-2-propan-2-ylphenyl) 2,2-dimethylcyclopropane-1-carboxylate
CID 137492386
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate?
The IUPAC name of (5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate (CID 134151064) is (5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate is Cc1ccc(C(C)C)c(OC(=O)NC2CCCCC2)c1.
What is the InChIKey of (5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate?
The InChIKey is ZUIZKHHCGGEGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,18,19).
What are the key properties of (5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate?
(5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate has a molecular weight of 275.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate is sourced from PubChem (CID 134151064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).