(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium

C15H23BrN3O3+ — CID 9103818

IUPAC(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
SMILESCCCNC(=O)NC(=O)C[NH+](C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrN3O3/c1-4-7-17-15(21)18-14(20)10-19(2)9-11-8-12(16)5-6-13(11)22-3/h5-6,8H,4,7,9-10H2,1-3H3,(H2,17,18,20,21)/p+1
InChIKeyJLNWUGNMVCFYMH-UHFFFAOYSA-O
MW373.27 g/mol
LogP0.71
Rot. Bonds7

About (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium

(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium (PubChem CID 9103818) has the molecular formula C15H23BrN3O3+ and a molecular weight of 373.27 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
PubChem CID9103818
Molecular FormulaC15H23BrN3O3+
Molecular Weight373.27 g/mol
Exact Mass372.09
IUPAC Name(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
SMILESCCCNC(=O)NC(=O)C[NH+](C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrN3O3/c1-4-7-17-15(21)18-14(20)10-19(2)9-11-8-12(16)5-6-13(11)22-3/h5-6,8H,4,7,9-10H2,1-3H3,(H2,17,18,20,21)/p+1
InChIKeyJLNWUGNMVCFYMH-UHFFFAOYSA-O
XLogP0.71
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium
CID 8810475
(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9103940
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9303287
(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
CID 2657721
(5-bromo-2-methoxyphenyl)methyl-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methylazanium
CID 9039741
[2-oxo-2-(propylcarbamoylamino)ethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 6211994
2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
CID 5210911
2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide
CID 2522978
2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506812
1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228472
(5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 8794242

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
The IUPAC name of (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium (CID 9103818) is (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
The canonical SMILES for (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium is CCCNC(=O)NC(=O)C[NH+](C)Cc1cc(Br)ccc1OC.
What is the InChIKey of (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
The InChIKey is JLNWUGNMVCFYMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22BrN3O3/c1-4-7-17-15(21)18-14(20)10-19(2)9-11-8-12(16)5-6-13(11)22-3/h5-6,8H,4,7,9-10H2,1-3H3,(H2,17,18,20,21)/p+1.
What are the key properties of (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium has a molecular weight of 373.27 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 9103818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).