(2-cyclohexylphenyl) N-tert-butylcarbamate

C17H25NO2 — CID 174539940

IUPAC(2-cyclohexylphenyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccccc1C1CCCCC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)18-16(19)20-15-12-8-7-11-14(15)13-9-5-4-6-10-13/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyGSBJWRUQDBJYOX-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.62
Rot. Bonds2

About (2-cyclohexylphenyl) N-tert-butylcarbamate

(2-cyclohexylphenyl) N-tert-butylcarbamate (PubChem CID 174539940) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2-cyclohexylphenyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-cyclohexylphenyl) N-tert-butylcarbamate
PubChem CID174539940
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2-cyclohexylphenyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccccc1C1CCCCC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)18-16(19)20-15-12-8-7-11-14(15)13-9-5-4-6-10-13/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyGSBJWRUQDBJYOX-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclobutylphenyl) acetate
CID 176943294
bis(2-cyclohexylphenyl) nonanedioate
CID 144725019
2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate
CID 67161464
(2-cyclohexylphenyl) pentyl carbonate
CID 154072254
[2-(aminomethyl)phenyl] N-tert-butylcarbamate
CID 141322688
(2-cyclohexylphenyl) pyridine-3-carboxylate
CID 3059644
(2-cyclohexylphenyl) dihydrogen phosphite
CID 22719070
(2-phenoxyphenyl)cycloheptane
CID 56995549
CID 66989831
CID 66989831
2-(2-cyclohexylphenoxy)ethanamine
CID 115031579
ethyl 4-bromo-4-(2-cyclohexylphenoxy)-2,2-dimethyl-3-oxobutanoate
CID 54571467
[2-(3-bromopropyl)phenyl] N-tert-butylcarbamate
CID 174427179

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylphenyl) N-tert-butylcarbamate?
The IUPAC name of (2-cyclohexylphenyl) N-tert-butylcarbamate (CID 174539940) is (2-cyclohexylphenyl) N-tert-butylcarbamate.
What is the SMILES notation for (2-cyclohexylphenyl) N-tert-butylcarbamate?
The canonical SMILES for (2-cyclohexylphenyl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1ccccc1C1CCCCC1.
What is the InChIKey of (2-cyclohexylphenyl) N-tert-butylcarbamate?
The InChIKey is GSBJWRUQDBJYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)18-16(19)20-15-12-8-7-11-14(15)13-9-5-4-6-10-13/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of (2-cyclohexylphenyl) N-tert-butylcarbamate?
(2-cyclohexylphenyl) N-tert-butylcarbamate has a molecular weight of 275.39 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylphenyl) N-tert-butylcarbamate is sourced from PubChem (CID 174539940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).