[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium

C18H23ClN3O3+ — CID 9255188

IUPAC[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N(C)CC(=O)NCc1ccco1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-13(15-7-3-4-8-16(15)19)20-11-18(24)22(2)12-17(23)21-10-14-6-5-9-25-14/h3-9,13,20H,10-12H2,1-2H3,(H,21,23)/p+1/t13-/m1/s1
InChIKeyBGXGEQMYIUSIFJ-CYBMUJFWSA-O
MW364.85 g/mol
LogP1.33
Rot. Bonds8

About [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium

[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium (PubChem CID 9255188) has the molecular formula C18H23ClN3O3+ and a molecular weight of 364.85 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
PubChem CID9255188
Molecular FormulaC18H23ClN3O3+
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N(C)CC(=O)NCc1ccco1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-13(15-7-3-4-8-16(15)19)20-11-18(24)22(2)12-17(23)21-10-14-6-5-9-25-14/h3-9,13,20H,10-12H2,1-2H3,(H,21,23)/p+1/t13-/m1/s1
InChIKeyBGXGEQMYIUSIFJ-CYBMUJFWSA-O
XLogP1.33
TPSA79.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9306254
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide
CID 9253639
[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium
CID 8919816
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 24619526
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9253771
2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9254974
methyl 1-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 9254514
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 17446948
N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide
CID 9373420
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9306946
1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55578962

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium (CID 9255188) is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)N(C)CC(=O)NCc1ccco1)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The InChIKey is BGXGEQMYIUSIFJ-CYBMUJFWSA-O. The full InChI is InChI=1S/C18H22ClN3O3/c1-13(15-7-3-4-8-16(15)19)20-11-18(24)22(2)12-17(23)21-10-14-6-5-9-25-14/h3-9,13,20H,10-12H2,1-2H3,(H,21,23)/p+1/t13-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium has a molecular weight of 364.85 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9255188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).