ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate

C12H16N2O3 — CID 3043274

IUPACethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate
SMILESCCOC(=O)N(C(N)=O)c1cccc(C)c1C
InChIInChI=1S/C12H16N2O3/c1-4-17-12(16)14(11(13)15)10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3,(H2,13,15)
InChIKeyIMULWFGAZXIYLS-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.35
Rot. Bonds2

About ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate

ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate (PubChem CID 3043274) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate
PubChem CID3043274
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate
SMILESCCOC(=O)N(C(N)=O)c1cccc(C)c1C
InChIInChI=1S/C12H16N2O3/c1-4-17-12(16)14(11(13)15)10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3,(H2,13,15)
InChIKeyIMULWFGAZXIYLS-UHFFFAOYSA-N
XLogP2.35
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(2,3-dimethylphenyl)-1-piperazinecarboxylate
CID 888012
1-Phenyl-3-(2,3-xylyl)urea
CID 295049
Ethyl phenyl allophanate
CID 37051
Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester
CID 51273
Carbamic acid, (aminocarbonyl)(4-methylphenyl)-, ethyl ester
CID 3044299
6-(2,3-dimethylanilino)-1H-pyrimidine-2,4-dione
CID 308647
Isopropyl 2,3-dimethylphenylcarbamate
CID 239191
Methyl(2,3-dimethylphenyl)carbamate
CID 282151
N-(2-Methylphenyl)triimidodicarbonic acid
CID 212832
Carbamic acid, (aminocarbonyl)(3-(trifluoromethyl)phenyl)-, ethyl ester
CID 3054397
Imidodicarbonic diamide, N-(1,1-dimethylethyl)-2-methyl-N'-phenyl-
CID 3059268
1-(2,3-Xylyl)urea
CID 3500140

Frequently Asked Questions

What is the IUPAC name of ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate?
The IUPAC name of ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate (CID 3043274) is ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate.
What is the SMILES notation for ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate?
The canonical SMILES for ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate is CCOC(=O)N(C(N)=O)c1cccc(C)c1C.
What is the InChIKey of ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate?
The InChIKey is IMULWFGAZXIYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-17-12(16)14(11(13)15)10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3,(H2,13,15).
What are the key properties of ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate?
ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate has a molecular weight of 236.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-carbamoyl-N-(2,3-dimethylphenyl)carbamate is sourced from PubChem (CID 3043274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).