[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate

C19H23NO3 — CID 122649822

IUPAC[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate
SMILESCCc1ccc(OCc2c(C)cccc2OC(=O)NC)c(C)c1
InChIInChI=1S/C19H23NO3/c1-5-15-9-10-17(14(3)11-15)22-12-16-13(2)7-6-8-18(16)23-19(21)20-4/h6-11H,5,12H2,1-4H3,(H,20,21)
InChIKeyOIOCWFIXQQZCGN-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.16
Rot. Bonds5

About [2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate

[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate (PubChem CID 122649822) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate
PubChem CID122649822
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate
SMILESCCc1ccc(OCc2c(C)cccc2OC(=O)NC)c(C)c1
InChIInChI=1S/C19H23NO3/c1-5-15-9-10-17(14(3)11-15)22-12-16-13(2)7-6-8-18(16)23-19(21)20-4/h6-11H,5,12H2,1-4H3,(H,20,21)
InChIKeyOIOCWFIXQQZCGN-UHFFFAOYSA-N
XLogP4.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] 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

O-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamothioate
CID 122649829
[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] methylsulfanylformate
CID 122626551
[3-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122649377
[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methoxyphenyl] propanoate
CID 122626526
[3-ethoxy-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122649555
[3-ethoxy-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] methylsulfanylformate
CID 122649818
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl]carbamothioate
CID 126587842
[2-[(2,4-dimethylphenoxy)methyl]-3-(sulfanylmethyl)phenyl] N-methylcarbamate
CID 122646178
[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate
CID 122626883
2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide
CID 126588249
S-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] N-methylcarbamothioate
CID 122626847
[2-[(4-ethyl-2-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl] acetate
CID 122650109

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate?
The IUPAC name of [2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate (CID 122649822) is [2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate.
What is the SMILES notation for [2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate?
The canonical SMILES for [2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate is CCc1ccc(OCc2c(C)cccc2OC(=O)NC)c(C)c1.
What is the InChIKey of [2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate?
The InChIKey is OIOCWFIXQQZCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-15-9-10-17(14(3)11-15)22-12-16-13(2)7-6-8-18(16)23-19(21)20-4/h6-11H,5,12H2,1-4H3,(H,20,21).
What are the key properties of [2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate?
[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate has a molecular weight of 313.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate is sourced from PubChem (CID 122649822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).