N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide

C19H22BrNO2 — CID 126588428

IUPACN-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(C)c1COc1ccc(CC)cc1Br
InChIInChI=1S/C19H22BrNO2/c1-4-14-9-10-18(16(20)11-14)23-12-15-13(3)7-6-8-17(15)21-19(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyIMPHCJACJBNDFJ-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.25
Rot. Bonds6

About N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide

N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide (PubChem CID 126588428) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide
PubChem CID126588428
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(C)c1COc1ccc(CC)cc1Br
InChIInChI=1S/C19H22BrNO2/c1-4-14-9-10-18(16(20)11-14)23-12-15-13(3)7-6-8-17(15)21-19(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyIMPHCJACJBNDFJ-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-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 129038836
methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
CID 126587706
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl]carbamothioate
CID 126587842
methyl N-[3-bromo-2-[(2-chloro-4-ethylphenoxy)methyl]phenyl]carbamate
CID 126587713
2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 4504195
N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide
CID 126588884
N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 126588301
N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588973
N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide
CID 126588913
N-[3-chloro-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038837
N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588143
[2-[(2-bromo-4-ethylphenoxy)methyl]-3-chlorophenyl] propanoate
CID 122649991

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide?
The IUPAC name of N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide (CID 126588428) is N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide.
What is the SMILES notation for N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide?
The canonical SMILES for N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide is CCC(=O)Nc1cccc(C)c1COc1ccc(CC)cc1Br.
What is the InChIKey of N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide?
The InChIKey is IMPHCJACJBNDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-4-14-9-10-18(16(20)11-14)23-12-15-13(3)7-6-8-17(15)21-19(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22).
What are the key properties of N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide?
N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]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-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide is sourced from PubChem (CID 126588428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).