methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate

C14H21NO3 — CID 115190817

IUPACmethyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCc1c(C)cc(C)cc1OC
InChIInChI=1S/C14H21NO3/c1-10-8-11(2)12(13(9-10)17-4)6-7-15(3)14(16)18-5/h8-9H,6-7H2,1-5H3
InChIKeyHIXPYNOHFCZVBC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.55
Rot. Bonds4

About methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate

methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate (PubChem CID 115190817) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate
PubChem CID115190817
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCc1c(C)cc(C)cc1OC
InChIInChI=1S/C14H21NO3/c1-10-8-11(2)12(13(9-10)17-4)6-7-15(3)14(16)18-5/h8-9H,6-7H2,1-5H3
InChIKeyHIXPYNOHFCZVBC-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260265
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol
CID 115216434
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201544
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide
CID 115191999
methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
CID 115190775
methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate
CID 115142563
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
4-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]butanoic acid
CID 115218737
N-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194169
5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one
CID 115236702

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate (CID 115190817) is methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate is COC(=O)N(C)CCc1c(C)cc(C)cc1OC.
What is the InChIKey of methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate?
The InChIKey is HIXPYNOHFCZVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-8-11(2)12(13(9-10)17-4)6-7-15(3)14(16)18-5/h8-9H,6-7H2,1-5H3.
What are the key properties of methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate?
methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate has a molecular weight of 251.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 115190817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).