4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide

C20H23BrN2O3 — CID 27760159

IUPAC4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O3/c1-14-5-3-6-15(2)20(14)23-19(25)13-22-18(24)7-4-12-26-17-10-8-16(21)9-11-17/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOBCAHSMYDVNVDW-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.98
Rot. Bonds8

About 4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide

4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide (PubChem CID 27760159) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide
PubChem CID27760159
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O3/c1-14-5-3-6-15(2)20(14)23-19(25)13-22-18(24)7-4-12-26-17-10-8-16(21)9-11-17/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOBCAHSMYDVNVDW-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 7790413
4-(4-bromophenoxy)-N-(2-chloroprop-2-enyl)butanamide
CID 115636838
N-(2,6-dimethylphenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 26904107
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
4-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063
4-(4-bromophenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 18292221
4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 43399152
N-(2,6-dimethylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795911
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 27760246
4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide
CID 9302251
N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825290

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide (CID 27760159) is 4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide is Cc1cccc(C)c1NC(=O)CNC(=O)CCCOc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide?
The InChIKey is OBCAHSMYDVNVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-14-5-3-6-15(2)20(14)23-19(25)13-22-18(24)7-4-12-26-17-10-8-16(21)9-11-17/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide?
4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide has a molecular weight of 419.32 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 27760159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).