methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate

C12H17NO3 — CID 2216614

IUPACmethyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1cc(C)ccc1C
InChIInChI=1S/C12H17NO3/c1-9-4-5-10(2)11(8-9)16-7-6-13-12(14)15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyUBAIBRRHCAYDKU-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.04
Rot. Bonds4

About methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate

methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate (PubChem CID 2216614) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate
PubChem CID2216614
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1cc(C)ccc1C
InChIInChI=1S/C12H17NO3/c1-9-4-5-10(2)11(8-9)16-7-6-13-12(14)15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyUBAIBRRHCAYDKU-UHFFFAOYSA-N
XLogP2.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.04
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

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2-(2,3-dimethylphenoxy)-N-methylethanamine
CID 10654938
3-(4,5-Dihydrooxazol-2-yl)phenyl propylcarbamate
CID 44243876
5-[(2,6-Dimethylphenoxy)methyl]-2-oxazolidinone
CID 2884305
N-cycloheptyl-2-(2,5-dimethylphenoxy)acetamide
CID 806645
5-[(2-Methylphenoxy)methyl]-1,3-oxazolidin-2-one
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Carbamic acid, methyl-, carvacryl ester
CID 17680
N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine
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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate (CID 2216614) is methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate is COC(=O)NCCOc1cc(C)ccc1C.
What is the InChIKey of methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate?
The InChIKey is UBAIBRRHCAYDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-4-5-10(2)11(8-9)16-7-6-13-12(14)15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate?
methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate has a molecular weight of 223.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2,5-dimethylphenoxy)ethyl]carbamate is sourced from PubChem (CID 2216614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).