ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate

C21H27NO3 — CID 126589055

IUPACethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cc(CC)ccc1COc1ccc(CC)cc1C
InChIInChI=1S/C21H27NO3/c1-5-16-9-11-20(15(4)12-16)25-14-18-10-8-17(6-2)13-19(18)22-21(23)24-7-3/h8-13H,5-7,14H2,1-4H3,(H,22,23)
InChIKeyHIGFKBJTQQXZEQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.27
Rot. Bonds7

About ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate

ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate (PubChem CID 126589055) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
PubChem CID126589055
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Nameethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cc(CC)ccc1COc1ccc(CC)cc1C
InChIInChI=1S/C21H27NO3/c1-5-16-9-11-20(15(4)12-16)25-14-18-10-8-17(6-2)13-19(18)22-21(23)24-7-3/h8-13H,5-7,14H2,1-4H3,(H,22,23)
InChIKeyHIGFKBJTQQXZEQ-UHFFFAOYSA-N
XLogP5.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
O-methyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate
CID 126588550
ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126588557
ethyl N-(5-ethyl-2-methylphenyl)carbamate
CID 110604053
methyl N-[4-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589168
N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 129054233
1-[5-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515823
1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea
CID 126588608
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515913
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328
difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 126515964
fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate
CID 126589277

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
The IUPAC name of ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate (CID 126589055) is ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate is CCOC(=O)Nc1cc(CC)ccc1COc1ccc(CC)cc1C.
What is the InChIKey of ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
The InChIKey is HIGFKBJTQQXZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-16-9-11-20(15(4)12-16)25-14-18-10-8-17(6-2)13-19(18)22-21(23)24-7-3/h8-13H,5-7,14H2,1-4H3,(H,22,23).
What are the key properties of ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate?
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate has a molecular weight of 341.45 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate is sourced from PubChem (CID 126589055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).