ethane;ethyl N-(4-methylphenyl)carbamate

C12H19NO2 — CID 143199598

IUPACethane;ethyl N-(4-methylphenyl)carbamate
SMILESCC.CCOC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C10H13NO2.C2H6/c1-3-13-10(12)11-9-6-4-8(2)5-7-9;1-2/h4-7H,3H2,1-2H3,(H,11,12);1-2H3
InChIKeyXSCLEMRHLQEDMK-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.59
Rot. Bonds2

About ethane;ethyl N-(4-methylphenyl)carbamate

ethane;ethyl N-(4-methylphenyl)carbamate (PubChem CID 143199598) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;ethyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Nameethane;ethyl N-(4-methylphenyl)carbamate
PubChem CID143199598
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethane;ethyl N-(4-methylphenyl)carbamate
SMILESCC.CCOC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C10H13NO2.C2H6/c1-3-13-10(12)11-9-6-4-8(2)5-7-9;1-2/h4-7H,3H2,1-2H3,(H,11,12);1-2H3
InChIKeyXSCLEMRHLQEDMK-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxyethyl N-(4-methylphenyl)carbamate
CID 4614670
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate
CID 110178694
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
amino N-(4-methylphenyl)carbamate
CID 22737872
ethyl N-[4-(chloromethylsulfonylamino)phenyl]carbamate
CID 55245640
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate
CID 9155973
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
ethyl N-[4-(1,2,2-tricyanoethenylamino)phenyl]carbamate
CID 168606743

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-(4-methylphenyl)carbamate?
The IUPAC name of ethane;ethyl N-(4-methylphenyl)carbamate (CID 143199598) is ethane;ethyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for ethane;ethyl N-(4-methylphenyl)carbamate?
The canonical SMILES for ethane;ethyl N-(4-methylphenyl)carbamate is CC.CCOC(=O)Nc1ccc(C)cc1.
What is the InChIKey of ethane;ethyl N-(4-methylphenyl)carbamate?
The InChIKey is XSCLEMRHLQEDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C2H6/c1-3-13-10(12)11-9-6-4-8(2)5-7-9;1-2/h4-7H,3H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;ethyl N-(4-methylphenyl)carbamate?
ethane;ethyl N-(4-methylphenyl)carbamate has a molecular weight of 209.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 143199598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).