2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide

C21H26BrNO3 — CID 132666166

IUPAC2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)C(C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H26BrNO3/c1-14(2)13-20(16-5-9-18(25-4)10-6-16)23-21(24)15(3)26-19-11-7-17(22)8-12-19/h5-12,14-15,20H,13H2,1-4H3,(H,23,24)
InChIKeyFNEOXNGXXKYCLA-UHFFFAOYSA-N
MW420.35 g/mol
LogP5.13
Rot. Bonds8

About 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide

2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide (PubChem CID 132666166) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
PubChem CID132666166
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC Name2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)C(C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H26BrNO3/c1-14(2)13-20(16-5-9-18(25-4)10-6-16)23-21(24)15(3)26-19-11-7-17(22)8-12-19/h5-12,14-15,20H,13H2,1-4H3,(H,23,24)
InChIKeyFNEOXNGXXKYCLA-UHFFFAOYSA-N
XLogP5.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92685363
(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 28566665
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94843875
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
CID 93487722
2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247071
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide
CID 92671905
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide (CID 132666166) is 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide is COc1ccc(C(CC(C)C)NC(=O)C(C)Oc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The InChIKey is FNEOXNGXXKYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO3/c1-14(2)13-20(16-5-9-18(25-4)10-6-16)23-21(24)15(3)26-19-11-7-17(22)8-12-19/h5-12,14-15,20H,13H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide has a molecular weight of 420.35 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide is sourced from PubChem (CID 132666166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).