(2-tert-butylcyclohexyl) N-phenylcarbamate

C17H25NO2 — CID 54670072

IUPAC(2-tert-butylcyclohexyl) N-phenylcarbamate
SMILESCC(C)(C)C1CCCCC1OC(=O)Nc1ccccc1
InChIInChI=1S/C17H25NO2/c1-17(2,3)14-11-7-8-12-15(14)20-16(19)18-13-9-5-4-6-10-13/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,18,19)
InChIKeyIQFJKVNORUXJJY-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.84
Rot. Bonds2

About (2-tert-butylcyclohexyl) N-phenylcarbamate

(2-tert-butylcyclohexyl) N-phenylcarbamate (PubChem CID 54670072) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2-tert-butylcyclohexyl) N-phenylcarbamate.

Molecular Properties

Compound Name(2-tert-butylcyclohexyl) N-phenylcarbamate
PubChem CID54670072
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2-tert-butylcyclohexyl) N-phenylcarbamate
SMILESCC(C)(C)C1CCCCC1OC(=O)Nc1ccccc1
InChIInChI=1S/C17H25NO2/c1-17(2,3)14-11-7-8-12-15(14)20-16(19)18-13-9-5-4-6-10-13/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,18,19)
InChIKeyIQFJKVNORUXJJY-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl N-phenylcarbamate
CID 246597
Urb602
CID 10979337
Phenethyl phenylcarbamate
CID 347208
1,1-Cyclopentanedimethanol, 1,1-bis(phenylcarbamate)
CID 72076
(1,5,8-Trimethyl-2-oxabicyclo[2.2.2]oct-4-yl)methyl phenylcarbamate
CID 2843536
3-Phenylpropyl phenylcarbamate
CID 2254838
4,4'-Methylenebis(isopropyl N-phenylcarbamate)
CID 4258206
Cyclohexyl biphenyl-4-ylcarbamate
CID 45272494
Octan-2-yl naphthalen-1-ylcarbamate
CID 347641
4-Anilino-4-oxobutanoic acid (4-tert-butylcyclohexyl) ester
CID 792875
Butyl 4-isopropylphenylcarbamate
CID 1562677
(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl phenylcarbamate
CID 3125194

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylcyclohexyl) N-phenylcarbamate?
The IUPAC name of (2-tert-butylcyclohexyl) N-phenylcarbamate (CID 54670072) is (2-tert-butylcyclohexyl) N-phenylcarbamate.
What is the SMILES notation for (2-tert-butylcyclohexyl) N-phenylcarbamate?
The canonical SMILES for (2-tert-butylcyclohexyl) N-phenylcarbamate is CC(C)(C)C1CCCCC1OC(=O)Nc1ccccc1.
What is the InChIKey of (2-tert-butylcyclohexyl) N-phenylcarbamate?
The InChIKey is IQFJKVNORUXJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)14-11-7-8-12-15(14)20-16(19)18-13-9-5-4-6-10-13/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,18,19).
What are the key properties of (2-tert-butylcyclohexyl) N-phenylcarbamate?
(2-tert-butylcyclohexyl) N-phenylcarbamate has a molecular weight of 275.39 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylcyclohexyl) N-phenylcarbamate is sourced from PubChem (CID 54670072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).