cyclohexyl N-(3-methylphenyl)carbamate

C14H19NO2 — CID 853669

IUPACcyclohexyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC2CCCCC2)c1
InChIInChI=1S/C14H19NO2/c1-11-6-5-7-12(10-11)15-14(16)17-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9H2,1H3,(H,15,16)
InChIKeyITCYGOSRUBLIPD-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.88
Rot. Bonds2

About cyclohexyl N-(3-methylphenyl)carbamate

cyclohexyl N-(3-methylphenyl)carbamate (PubChem CID 853669) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is cyclohexyl N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Namecyclohexyl N-(3-methylphenyl)carbamate
PubChem CID853669
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namecyclohexyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC2CCCCC2)c1
InChIInChI=1S/C14H19NO2/c1-11-6-5-7-12(10-11)15-14(16)17-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9H2,1H3,(H,15,16)
InChIKeyITCYGOSRUBLIPD-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propham
CID 24685
cyclohexyl N-phenylcarbamate
CID 246597
Urb602
CID 10979337
Phenethyl phenylcarbamate
CID 347208
Carbamic acid, (4-butylphenyl)-, methyl ester
CID 2169720
Cyclopentyl phenylcarbamate
CID 18899
Carbanilic acid, p-methyl-, isopropyl ester
CID 37489
Carbamic acid, (3-methylphenyl)-, methyl ester
CID 596693
C,C'-Diethyl N,N'-(methylenedi-4,1-phenylene)bis(carbamate)
CID 82348
Sec-butyl carbanilate
CID 259745
Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester
CID 93998
Carbanilic acid, o-methyl-, isopropyl ester
CID 38011

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-(3-methylphenyl)carbamate?
The IUPAC name of cyclohexyl N-(3-methylphenyl)carbamate (CID 853669) is cyclohexyl N-(3-methylphenyl)carbamate.
What is the SMILES notation for cyclohexyl N-(3-methylphenyl)carbamate?
The canonical SMILES for cyclohexyl N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)OC2CCCCC2)c1.
What is the InChIKey of cyclohexyl N-(3-methylphenyl)carbamate?
The InChIKey is ITCYGOSRUBLIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-6-5-7-12(10-11)15-14(16)17-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9H2,1H3,(H,15,16).
What are the key properties of cyclohexyl N-(3-methylphenyl)carbamate?
cyclohexyl N-(3-methylphenyl)carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-(3-methylphenyl)carbamate is sourced from PubChem (CID 853669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).