N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide

C19H22BrNO2 — CID 126588301

IUPACN-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1c(Br)cccc1COc1ccc(CC)cc1C
InChIInChI=1S/C19H22BrNO2/c1-4-14-9-10-17(13(3)11-14)23-12-15-7-6-8-16(20)19(15)21-18(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyROZHQEXAGFSSQF-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.25
Rot. Bonds6

About N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide

N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide (PubChem CID 126588301) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
PubChem CID126588301
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1c(Br)cccc1COc1ccc(CC)cc1C
InChIInChI=1S/C19H22BrNO2/c1-4-14-9-10-17(13(3)11-14)23-12-15-7-6-8-16(20)19(15)21-18(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyROZHQEXAGFSSQF-UHFFFAOYSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-methylphenyl]propanethioamide
CID 126588003
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126588557
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
CID 126588569
N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 126588428
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 126587999
N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline
CID 129049206
N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 129054233
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515913
N-(2,6-dibromophenyl)propanamide
CID 103863189
methyl N-[4-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589168

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
The IUPAC name of N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide (CID 126588301) is N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide.
What is the SMILES notation for N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
The canonical SMILES for N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide is CCC(=O)Nc1c(Br)cccc1COc1ccc(CC)cc1C.
What is the InChIKey of N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
The InChIKey is ROZHQEXAGFSSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-4-14-9-10-17(13(3)11-14)23-12-15-7-6-8-16(20)19(15)21-18(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22).
What are the key properties of N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide has a molecular weight of 376.29 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide is sourced from PubChem (CID 126588301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).