ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate

C21H27NO4 — CID 126588557

IUPACethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1c(COc2ccc(CC)cc2C)cccc1OCC
InChIInChI=1S/C21H27NO4/c1-5-16-11-12-18(15(4)13-16)26-14-17-9-8-10-19(24-6-2)20(17)22-21(23)25-7-3/h8-13H,5-7,14H2,1-4H3,(H,22,23)
InChIKeyUSSQMZFKRQJZBI-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.10
Rot. Bonds8

About ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate

ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate (PubChem CID 126588557) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
PubChem CID126588557
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Nameethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1c(COc2ccc(CC)cc2C)cccc1OCC
InChIInChI=1S/C21H27NO4/c1-5-16-11-12-18(15(4)13-16)26-14-17-9-8-10-19(24-6-2)20(17)22-21(23)25-7-3/h8-13H,5-7,14H2,1-4H3,(H,22,23)
InChIKeyUSSQMZFKRQJZBI-UHFFFAOYSA-N
XLogP5.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 126587999
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate
CID 129039597
N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 126588301
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-methylphenyl]propanethioamide
CID 126588003
difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589148
[3-ethoxy-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] methylsulfanylformate
CID 122649818
N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline
CID 129049206
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515913
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]carbamothioate
CID 126515839
O-methyl N-[2-ethenyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate
CID 126515922
[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate
CID 122649822

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
The IUPAC name of ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate (CID 126588557) is ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate is CCOC(=O)Nc1c(COc2ccc(CC)cc2C)cccc1OCC.
What is the InChIKey of ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
The InChIKey is USSQMZFKRQJZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-16-11-12-18(15(4)13-16)26-14-17-9-8-10-19(24-6-2)20(17)22-21(23)25-7-3/h8-13H,5-7,14H2,1-4H3,(H,22,23).
What are the key properties of ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate has a molecular weight of 357.45 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate is sourced from PubChem (CID 126588557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).