methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate

C13H19NO3 — CID 113101254

IUPACmethyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1cc(C)c(C)cc1C
InChIInChI=1S/C13H19NO3/c1-9-7-11(3)12(8-10(9)2)17-6-5-14-13(15)16-4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyCLGCWJWGTDNONS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.35
Rot. Bonds4

About methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate

methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate (PubChem CID 113101254) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
PubChem CID113101254
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1cc(C)c(C)cc1C
InChIInChI=1S/C13H19NO3/c1-9-7-11(3)12(8-10(9)2)17-6-5-14-13(15)16-4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyCLGCWJWGTDNONS-UHFFFAOYSA-N
XLogP2.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.35
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

2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101223
1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974406
1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974475
(2,4,5-trimethylphenyl) N-(2-ethoxyethyl)carbamate
CID 57185430
1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974425
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101233
N-[2-(4-methoxyphenoxy)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978061
N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974507
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974458
2-(3-bromophenyl)-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101258
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate (CID 113101254) is methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate is COC(=O)NCCOc1cc(C)c(C)cc1C.
What is the InChIKey of methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate?
The InChIKey is CLGCWJWGTDNONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-7-11(3)12(8-10(9)2)17-6-5-14-13(15)16-4/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate?
methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2,4,5-trimethylphenoxy)ethyl]carbamate is sourced from PubChem (CID 113101254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).