(3,5-dimethylcyclohexyl) N-phenylcarbamate

C15H21NO2 — CID 58534443

IUPAC(3,5-dimethylcyclohexyl) N-phenylcarbamate
SMILESCC1CC(C)CC(OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-11-8-12(2)10-14(9-11)18-15(17)16-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,16,17)
InChIKeyLCFVJIIJSDKFLP-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.06
Rot. Bonds2

About (3,5-dimethylcyclohexyl) N-phenylcarbamate

(3,5-dimethylcyclohexyl) N-phenylcarbamate (PubChem CID 58534443) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) N-phenylcarbamate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) N-phenylcarbamate
PubChem CID58534443
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3,5-dimethylcyclohexyl) N-phenylcarbamate
SMILESCC1CC(C)CC(OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-11-8-12(2)10-14(9-11)18-15(17)16-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,16,17)
InChIKeyLCFVJIIJSDKFLP-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate
CID 64730203
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
oxetan-3-yl N-phenylcarbamate
CID 54313632
(4-oxocyclohexyl) N-phenylcarbamate
CID 5238930
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
(3-aminocyclobutyl) N-(4-methylphenyl)carbamate
CID 79346677
[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
(3,5-dimethylcyclohexyl) benzenecarboperoxoate
CID 173269779
[(1S,6R)-6-hydroxycyclohex-3-en-1-yl] N-phenylcarbamate
CID 101433203
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960
[(1R,3R,7R)-3-tricyclo[3.2.1.02,7]octanyl] N-phenylcarbamate
CID 98073845
[(3R,5S)-3,5-dimethylcyclohexyl] hydrogen carbonate
CID 67795036

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) N-phenylcarbamate?
The IUPAC name of (3,5-dimethylcyclohexyl) N-phenylcarbamate (CID 58534443) is (3,5-dimethylcyclohexyl) N-phenylcarbamate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) N-phenylcarbamate?
The canonical SMILES for (3,5-dimethylcyclohexyl) N-phenylcarbamate is CC1CC(C)CC(OC(=O)Nc2ccccc2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) N-phenylcarbamate?
The InChIKey is LCFVJIIJSDKFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-8-12(2)10-14(9-11)18-15(17)16-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,16,17).
What are the key properties of (3,5-dimethylcyclohexyl) N-phenylcarbamate?
(3,5-dimethylcyclohexyl) N-phenylcarbamate has a molecular weight of 247.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) N-phenylcarbamate is sourced from PubChem (CID 58534443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).