N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide

C20H23BrN2O3 — CID 27781487

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C20H23BrN2O3/c1-13-4-5-14(2)18(10-13)26-9-8-19(24)22-12-20(25)23-17-7-6-16(21)11-15(17)3/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRAMRWZPMBTYKBS-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.90
Rot. Bonds7

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide (PubChem CID 27781487) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide
PubChem CID27781487
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C20H23BrN2O3/c1-13-4-5-14(2)18(10-13)26-9-8-19(24)22-12-20(25)23-17-7-6-16(21)11-15(17)3/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRAMRWZPMBTYKBS-UHFFFAOYSA-N
XLogP3.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 43009894
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide
CID 26071027
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylsulfanylpropanamide
CID 18160466
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119269095
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
CID 47205616
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 27781319

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide (CID 27781487) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OCCC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide?
The InChIKey is RAMRWZPMBTYKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-13-4-5-14(2)18(10-13)26-9-8-19(24)22-12-20(25)23-17-7-6-16(21)11-15(17)3/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide has a molecular weight of 419.32 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 27781487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).