ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate

C13H19NO3 — CID 110287988

IUPACethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-17-13(15)14(2)10-9-11-5-7-12(16-3)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyLBIRLAXSLVDVPH-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.33
Rot. Bonds5

About ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate

ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate (PubChem CID 110287988) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
PubChem CID110287988
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-17-13(15)14(2)10-9-11-5-7-12(16-3)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyLBIRLAXSLVDVPH-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
CID 119298042
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 10015086
N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110307110
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate
CID 78977811
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide
CID 110354210
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate (CID 110287988) is ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate is CCOC(=O)N(C)CCc1ccc(OC)cc1.
What is the InChIKey of ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate?
The InChIKey is LBIRLAXSLVDVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-17-13(15)14(2)10-9-11-5-7-12(16-3)8-6-11/h5-8H,4,9-10H2,1-3H3.
What are the key properties of ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate?
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 110287988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).