methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate

C13H19NO4 — CID 115190775

IUPACmethyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCc1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO4/c1-14(13(15)18-4)8-7-10-5-6-11(16-2)9-12(10)17-3/h5-6,9H,7-8H2,1-4H3
InChIKeyFKEMCVSBLWHQAL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.94
Rot. Bonds5

About methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate

methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate (PubChem CID 115190775) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
PubChem CID115190775
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCc1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO4/c1-14(13(15)18-4)8-7-10-5-6-11(16-2)9-12(10)17-3/h5-6,9H,7-8H2,1-4H3
InChIKeyFKEMCVSBLWHQAL-UHFFFAOYSA-N
XLogP1.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 115191281
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166684
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
CID 117044148
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 110408765
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-N-methyl-2-oxopropanamide
CID 115176047
4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534
N-acetyl-3-(2,4-dimethoxyphenyl)propanamide
CID 171779335

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate (CID 115190775) is methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate is COC(=O)N(C)CCc1ccc(OC)cc1OC.
What is the InChIKey of methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate?
The InChIKey is FKEMCVSBLWHQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14(13(15)18-4)8-7-10-5-6-11(16-2)9-12(10)17-3/h5-6,9H,7-8H2,1-4H3.
What are the key properties of methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate?
methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate has a molecular weight of 253.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 115190775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).