methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate

C13H19NO3 — CID 110788778

IUPACmethyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
SMILESCCc1ccc(OC)c(CCNC(=O)OC)c1
InChIInChI=1S/C13H19NO3/c1-4-10-5-6-12(16-2)11(9-10)7-8-14-13(15)17-3/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyWFCIODAZOHLGMA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.16
Rot. Bonds5

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

methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate (PubChem CID 110788778) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
PubChem CID110788778
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
SMILESCCc1ccc(OC)c(CCNC(=O)OC)c1
InChIInChI=1S/C13H19NO3/c1-4-10-5-6-12(16-2)11(9-10)7-8-14-13(15)17-3/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyWFCIODAZOHLGMA-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110788777
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795519
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
CID 110788746
(E)-4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]but-2-enoic acid
CID 115237281
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 115258035
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide
CID 96660374
1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 70019238

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate (CID 110788778) is methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate is CCc1ccc(OC)c(CCNC(=O)OC)c1.
What is the InChIKey of methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate?
The InChIKey is WFCIODAZOHLGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-10-5-6-12(16-2)11(9-10)7-8-14-13(15)17-3/h5-6,9H,4,7-8H2,1-3H3,(H,14,15).
What are the key properties of methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate?
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 110788778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).