2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide

C21H27BrN2O3 — CID 17155901

IUPAC2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide
SMILESCCCC(NCc1cc(Br)c(OCC(N)=O)c(OCC)c1)c1ccccc1
InChIInChI=1S/C21H27BrN2O3/c1-3-8-18(16-9-6-5-7-10-16)24-13-15-11-17(22)21(27-14-20(23)25)19(12-15)26-4-2/h5-7,9-12,18,24H,3-4,8,13-14H2,1-2H3,(H2,23,25)
InChIKeyVRRGMGJSDYSALV-UHFFFAOYSA-N
MW435.36 g/mol
LogP4.34
Rot. Bonds11

About 2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide

2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide (PubChem CID 17155901) has the molecular formula C21H27BrN2O3 and a molecular weight of 435.36 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide
PubChem CID17155901
Molecular FormulaC21H27BrN2O3
Molecular Weight435.36 g/mol
Exact Mass434.12
IUPAC Name2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide
SMILESCCCC(NCc1cc(Br)c(OCC(N)=O)c(OCC)c1)c1ccccc1
InChIInChI=1S/C21H27BrN2O3/c1-3-8-18(16-9-6-5-7-10-16)24-13-15-11-17(22)21(27-14-20(23)25)19(12-15)26-4-2/h5-7,9-12,18,24H,3-4,8,13-14H2,1-2H3,(H2,23,25)
InChIKeyVRRGMGJSDYSALV-UHFFFAOYSA-N
XLogP4.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156065
2-[2-bromo-6-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 1017380
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458
2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290905
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156385
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 17291995
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78824249
N-tert-butyl-2-[2-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17156002
2-[2-bromo-6-ethoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 4722322
2-[2-bromo-6-ethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51994675
2-[2-bromo-4-[[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]methyl]-6-ethoxyphenoxy]acetamide
CID 41183350
2-[4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-bromo-6-ethoxyphenoxy]acetamide;dihydrochloride
CID 17159140

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide (CID 17155901) is 2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide is CCCC(NCc1cc(Br)c(OCC(N)=O)c(OCC)c1)c1ccccc1.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide?
The InChIKey is VRRGMGJSDYSALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O3/c1-3-8-18(16-9-6-5-7-10-16)24-13-15-11-17(22)21(27-14-20(23)25)19(12-15)26-4-2/h5-7,9-12,18,24H,3-4,8,13-14H2,1-2H3,(H2,23,25).
What are the key properties of 2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide?
2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide has a molecular weight of 435.36 g/mol, XLogP of 4.34, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 17155901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).