methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate

C19H22BrNO3 — CID 129038513

IUPACmethyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate
SMILESCCc1cc(C)c(C)cc1OCc1c(Br)cccc1NC(=O)OC
InChIInChI=1S/C19H22BrNO3/c1-5-14-9-12(2)13(3)10-18(14)24-11-15-16(20)7-6-8-17(15)21-19(22)23-4/h6-10H,5,11H2,1-4H3,(H,21,22)
InChIKeyLHSSRCBSMZWWLF-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.39
Rot. Bonds5

About methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate

methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate (PubChem CID 129038513) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate
PubChem CID129038513
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Namemethyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate
SMILESCCc1cc(C)c(C)cc1OCc1c(Br)cccc1NC(=O)OC
InChIInChI=1S/C19H22BrNO3/c1-5-14-9-12(2)13(3)10-18(14)24-11-15-16(20)7-6-8-17(15)21-19(22)23-4/h6-10H,5,11H2,1-4H3,(H,21,22)
InChIKeyLHSSRCBSMZWWLF-UHFFFAOYSA-N
XLogP5.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 129038444
O-methyl N-[3-bromo-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]carbamothioate
CID 129049216
N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 129038836
methyl N-[3-bromo-2-[(2-chloro-4-ethylphenoxy)methyl]phenyl]carbamate
CID 126587713
methyl N-[3-chloro-2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]phenyl]carbamate
CID 126588620
methyl N-[3-iodo-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]carbamate
CID 129038436
N-[3-chloro-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038837
methyl N-[3-ethoxy-2-[(4-ethyl-2-fluoro-5-methylphenoxy)methyl]phenyl]carbamate
CID 126587722
[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl] methyl carbonate
CID 122645722
methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate
CID 129038323
N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588973
methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
CID 126587706

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate (CID 129038513) is methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate is CCc1cc(C)c(C)cc1OCc1c(Br)cccc1NC(=O)OC.
What is the InChIKey of methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate?
The InChIKey is LHSSRCBSMZWWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-5-14-9-12(2)13(3)10-18(14)24-11-15-16(20)7-6-8-17(15)21-19(22)23-4/h6-10H,5,11H2,1-4H3,(H,21,22).
What are the key properties of methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate?
methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate has a molecular weight of 392.29 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate is sourced from PubChem (CID 129038513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).