N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide

C21H25BrN2O3 — CID 54789497

IUPACN-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)N(CCC(N)=O)CCc1ccccc1
InChIInChI=1S/C21H25BrN2O3/c1-15(2)27-19-9-8-17(22)14-18(19)21(26)24(13-11-20(23)25)12-10-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,23,25)
InChIKeyHMIRHJWNDHQNKN-UHFFFAOYSA-N
MW433.35 g/mol
LogP3.80
Rot. Bonds9

About N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide

N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide (PubChem CID 54789497) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide
PubChem CID54789497
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC NameN-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)N(CCC(N)=O)CCc1ccccc1
InChIInChI=1S/C21H25BrN2O3/c1-15(2)27-19-9-8-17(22)14-18(19)21(26)24(13-11-20(23)25)12-10-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,23,25)
InChIKeyHMIRHJWNDHQNKN-UHFFFAOYSA-N
XLogP3.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide
CID 54789789
N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide
CID 54789698
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 54789701
5-bromo-N-(2-phenylethylcarbamothioyl)-2-propan-2-yloxybenzamide
CID 17051897
[4-(3-phenylpropoxycarbonyl)phenyl] 5-bromo-2-propan-2-yloxybenzoate
CID 17138040
N-(3-amino-3-oxopropyl)-2-(2-methylphenoxy)-N-(2-phenylethyl)propanamide
CID 54790094
3-[benzyl-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 28642601
[3-(3-phenylpropoxycarbonyl)phenyl] 5-bromo-2-propan-2-yloxybenzoate
CID 17161490
N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046888
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide (CID 54789497) is N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(Br)cc1C(=O)N(CCC(N)=O)CCc1ccccc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide?
The InChIKey is HMIRHJWNDHQNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-15(2)27-19-9-8-17(22)14-18(19)21(26)24(13-11-20(23)25)12-10-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,23,25).
What are the key properties of N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide?
N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide has a molecular weight of 433.35 g/mol, XLogP of 3.80, 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-N-(2-phenylethyl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 54789497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).