2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide

C18H21BrN2O3 — CID 2982965

IUPAC2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNC(C)c2ccccc2)c(Br)cc1OCC(N)=O
InChIInChI=1S/C18H21BrN2O3/c1-12(13-6-4-3-5-7-13)21-10-14-8-16(23-2)17(9-15(14)19)24-11-18(20)22/h3-9,12,21H,10-11H2,1-2H3,(H2,20,22)
InChIKeyBPZXBYBMXKKICO-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.17
Rot. Bonds8

About 2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide

2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide (PubChem CID 2982965) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide
PubChem CID2982965
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNC(C)c2ccccc2)c(Br)cc1OCC(N)=O
InChIInChI=1S/C18H21BrN2O3/c1-12(13-6-4-3-5-7-13)21-10-14-8-16(23-2)17(9-15(14)19)24-11-18(20)22/h3-9,12,21H,10-11H2,1-2H3,(H2,20,22)
InChIKeyBPZXBYBMXKKICO-UHFFFAOYSA-N
XLogP3.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide (CID 2982965) is 2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide is COc1cc(CNC(C)c2ccccc2)c(Br)cc1OCC(N)=O.
What is the InChIKey of 2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide?
The InChIKey is BPZXBYBMXKKICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-12(13-6-4-3-5-7-13)21-10-14-8-16(23-2)17(9-15(14)19)24-11-18(20)22/h3-9,12,21H,10-11H2,1-2H3,(H2,20,22).
What are the key properties of 2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide?
2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide has a molecular weight of 393.28 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-methoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 2982965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).