(2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate

C18H27NO2 — CID 134143173

IUPAC(2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate
SMILESCc1ccc(C(C)C)cc1OC(=O)NCC1CCCCC1
InChIInChI=1S/C18H27NO2/c1-13(2)16-10-9-14(3)17(11-16)21-18(20)19-12-15-7-5-4-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,19,20)
InChIKeyWWLFRRMEORDALC-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.79
Rot. Bonds4

About (2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate

(2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate (PubChem CID 134143173) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate.

Molecular Properties

Compound Name(2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate
PubChem CID134143173
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate
SMILESCc1ccc(C(C)C)cc1OC(=O)NCC1CCCCC1
InChIInChI=1S/C18H27NO2/c1-13(2)16-10-9-14(3)17(11-16)21-18(20)19-12-15-7-5-4-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,19,20)
InChIKeyWWLFRRMEORDALC-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate?
The IUPAC name of (2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate (CID 134143173) is (2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate.
What is the SMILES notation for (2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate?
The canonical SMILES for (2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate is Cc1ccc(C(C)C)cc1OC(=O)NCC1CCCCC1.
What is the InChIKey of (2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate?
The InChIKey is WWLFRRMEORDALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)16-10-9-14(3)17(11-16)21-18(20)19-12-15-7-5-4-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,19,20).
What are the key properties of (2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate?
(2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate has a molecular weight of 289.42 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate is sourced from PubChem (CID 134143173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).