N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide

C21H25BrN2O4 — CID 26071027

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C21H25BrN2O4/c1-3-27-18-7-4-5-8-19(18)28-12-6-9-20(25)23-14-21(26)24-17-11-10-16(22)13-15(17)2/h4-5,7-8,10-11,13H,3,6,9,12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyILFXUDPQNKOESY-UHFFFAOYSA-N
MW449.35 g/mol
LogP4.07
Rot. Bonds10

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide (PubChem CID 26071027) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide
PubChem CID26071027
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C21H25BrN2O4/c1-3-27-18-7-4-5-8-19(18)28-12-6-9-20(25)23-14-21(26)24-17-11-10-16(22)13-15(17)2/h4-5,7-8,10-11,13H,3,6,9,12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyILFXUDPQNKOESY-UHFFFAOYSA-N
XLogP4.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 27761676
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide
CID 26071019
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide
CID 27781487
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119269095
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 26712804
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide
CID 17425680
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylsulfanylpropanamide
CID 18160466
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 27761573
3-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 18159015
N-[(4-bromothiophen-2-yl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55801604

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide (CID 26071027) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)NCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is ILFXUDPQNKOESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-3-27-18-7-4-5-8-19(18)28-12-6-9-20(25)23-14-21(26)24-17-11-10-16(22)13-15(17)2/h4-5,7-8,10-11,13H,3,6,9,12,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 449.35 g/mol, XLogP of 4.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 26071027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).