2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide

C20H25BrN2O3 — CID 66544717

IUPAC2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide
SMILESCOc1cc(CNc2ccccc2)c(Br)cc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C20H25BrN2O3/c1-20(2,3)23-19(24)13-26-18-11-16(21)14(10-17(18)25-4)12-22-15-8-6-5-7-9-15/h5-11,22H,12-13H2,1-4H3,(H,23,24)
InChIKeySNXLFAKOBNNUHS-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.36
Rot. Bonds7

About 2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide

2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide (PubChem CID 66544717) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is 2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide
PubChem CID66544717
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC Name2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide
SMILESCOc1cc(CNc2ccccc2)c(Br)cc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C20H25BrN2O3/c1-20(2,3)23-19(24)13-26-18-11-16(21)14(10-17(18)25-4)12-22-15-8-6-5-7-9-15/h5-11,22H,12-13H2,1-4H3,(H,23,24)
InChIKeySNXLFAKOBNNUHS-UHFFFAOYSA-N
XLogP4.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-bromo-4-[(3,5-dichloro-4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66544559
2-[5-bromo-4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66535022
2-[5-bromo-2-methoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 66544445
2-[5-bromo-4-(butylaminomethyl)-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66534557
2-[5-bromo-4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66534489
2-[5-bromo-2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 66535097
2-[[2-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methylamino]-4-methylpentanoic acid
CID 66534981
2-[5-bromo-4-[(3-chloro-4-piperidin-1-ylanilino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66544641
2-[5-bromo-4-(hydroxymethyl)-2-methoxyphenoxy]-N-phenylacetamide
CID 19621791
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
2-[5-bromo-4-[[(3,5-dimethyl-1-adamantyl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66534546
2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]-N-tert-butylacetamide
CID 66529249

Frequently Asked Questions

What is the IUPAC name of 2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide?
The IUPAC name of 2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide (CID 66544717) is 2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide is COc1cc(CNc2ccccc2)c(Br)cc1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide?
The InChIKey is SNXLFAKOBNNUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c1-20(2,3)23-19(24)13-26-18-11-16(21)14(10-17(18)25-4)12-22-15-8-6-5-7-9-15/h5-11,22H,12-13H2,1-4H3,(H,23,24).
What are the key properties of 2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide?
2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide has a molecular weight of 421.34 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide is sourced from PubChem (CID 66544717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).