2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide

C15H23BrN2O3 — CID 62899307

IUPAC2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide
SMILESCCOc1cc(CC(C)N)cc(Br)c1OC(CC)C(N)=O
InChIInChI=1S/C15H23BrN2O3/c1-4-12(15(18)19)21-14-11(16)7-10(6-9(3)17)8-13(14)20-5-2/h7-9,12H,4-6,17H2,1-3H3,(H2,18,19)
InChIKeyCUVWFPRDVQSIHW-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.38
Rot. Bonds8

About 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide

2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide (PubChem CID 62899307) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide
PubChem CID62899307
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide
SMILESCCOc1cc(CC(C)N)cc(Br)c1OC(CC)C(N)=O
InChIInChI=1S/C15H23BrN2O3/c1-4-12(15(18)19)21-14-11(16)7-10(6-9(3)17)8-13(14)20-5-2/h7-9,12H,4-6,17H2,1-3H3,(H2,18,19)
InChIKeyCUVWFPRDVQSIHW-UHFFFAOYSA-N
XLogP2.38
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide (CID 62899307) is 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide is CCOc1cc(CC(C)N)cc(Br)c1OC(CC)C(N)=O.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide?
The InChIKey is CUVWFPRDVQSIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-4-12(15(18)19)21-14-11(16)7-10(6-9(3)17)8-13(14)20-5-2/h7-9,12H,4-6,17H2,1-3H3,(H2,18,19).
What are the key properties of 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide?
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide has a molecular weight of 359.26 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide is sourced from PubChem (CID 62899307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).