N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide

C20H23BrN2O3 — CID 54789789

IUPACN-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide
SMILESCCOc1ccc(Br)cc1C(=O)N(CCC(N)=O)CCc1ccccc1
InChIInChI=1S/C20H23BrN2O3/c1-2-26-18-9-8-16(21)14-17(18)20(25)23(13-11-19(22)24)12-10-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,22,24)
InChIKeyWESOJDDMYQXDQV-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.41
Rot. Bonds9

About N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide

N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide (PubChem CID 54789789) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide
PubChem CID54789789
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC NameN-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide
SMILESCCOc1ccc(Br)cc1C(=O)N(CCC(N)=O)CCc1ccccc1
InChIInChI=1S/C20H23BrN2O3/c1-2-26-18-9-8-16(21)14-17(18)20(25)23(13-11-19(22)24)12-10-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,22,24)
InChIKeyWESOJDDMYQXDQV-UHFFFAOYSA-N
XLogP3.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide
CID 54789497
3-phenylpropyl 5-bromo-2-ethoxybenzoate
CID 23012843
N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 54789701
N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide
CID 54789698
ethyl 3-[benzyl-(5-bromo-2-butoxybenzoyl)amino]propanoate
CID 43910716
ethyl 3-[benzyl-[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]propanoate
CID 43910727
N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046888
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
3-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 54790002
3-[benzyl-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 28642601
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2947744
5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide
CID 17046055

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide (CID 54789789) is N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide is CCOc1ccc(Br)cc1C(=O)N(CCC(N)=O)CCc1ccccc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide?
The InChIKey is WESOJDDMYQXDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-2-26-18-9-8-16(21)14-17(18)20(25)23(13-11-19(22)24)12-10-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,22,24).
What are the key properties of N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide?
N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide has a molecular weight of 419.32 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 54789789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).