ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate

C13H19NO3 — CID 113100948

IUPACethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
SMILESCCOC(=O)NCCOc1cccc(C)c1C
InChIInChI=1S/C13H19NO3/c1-4-16-13(15)14-8-9-17-12-7-5-6-10(2)11(12)3/h5-7H,4,8-9H2,1-3H3,(H,14,15)
InChIKeyKFMYCOKHGKBOST-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.43
Rot. Bonds5

About ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate

ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate (PubChem CID 113100948) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
PubChem CID113100948
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
SMILESCCOC(=O)NCCOc1cccc(C)c1C
InChIInChI=1S/C13H19NO3/c1-4-16-13(15)14-8-9-17-12-7-5-6-10(2)11(12)3/h5-7H,4,8-9H2,1-3H3,(H,14,15)
InChIKeyKFMYCOKHGKBOST-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,3-dimethylphenoxy)ethyl]-3-pentylurea
CID 112973846
3-bromo-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100932
ethyl N-[2-(2-butan-2-yloxyphenoxy)ethyl]carbamate
CID 22158866
N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545
ethyl N-[2-[3-(2,6-dimethylphenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108881896
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100933
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
(2,3-dimethylphenyl) N-ethylcarbamate
CID 127545689
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51065574
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 133165885

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate (CID 113100948) is ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate is CCOC(=O)NCCOc1cccc(C)c1C.
What is the InChIKey of ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate?
The InChIKey is KFMYCOKHGKBOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-16-13(15)14-8-9-17-12-7-5-6-10(2)11(12)3/h5-7H,4,8-9H2,1-3H3,(H,14,15).
What are the key properties of ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate?
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate is sourced from PubChem (CID 113100948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).