[2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium

C18H28N3O2+ — CID 8910295

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
SMILESCCc1ccc(CN(C)C(=O)C[NH+](C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-4-14-5-7-15(8-6-14)11-21(3)18(23)13-20(2)12-17(22)19-16-9-10-16/h5-8,16H,4,9-13H2,1-3H3,(H,19,22)/p+1
InChIKeyNPFHGDWRDDBXGD-UHFFFAOYSA-O
MW318.44 g/mol
LogP0.00
Rot. Bonds8

About [2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium (PubChem CID 8910295) has the molecular formula C18H28N3O2+ and a molecular weight of 318.44 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
PubChem CID8910295
Molecular FormulaC18H28N3O2+
Molecular Weight318.44 g/mol
Exact Mass318.22
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
SMILESCCc1ccc(CN(C)C(=O)C[NH+](C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-4-14-5-7-15(8-6-14)11-21(3)18(23)13-20(2)12-17(22)19-16-9-10-16/h5-8,16H,4,9-13H2,1-3H3,(H,19,22)/p+1
InChIKeyNPFHGDWRDDBXGD-UHFFFAOYSA-O
XLogP0.00
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785660
N-cyclopropyl-2-[[ethylamino-[(4-ethylphenyl)methyl-methylamino]methylidene]amino]acetamide
CID 111283361
[2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 9253030
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 8910070
N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 60630863
N'-benzyl-N-cyclopentyl-N'-methylpropanediamide
CID 108942140
[2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium
CID 8910266
N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82126542
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
[2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium
CID 9317334
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium
CID 9287627
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium (CID 8910295) is [2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium is CCc1ccc(CN(C)C(=O)C[NH+](C)CC(=O)NC2CC2)cc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is NPFHGDWRDDBXGD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O2/c1-4-14-5-7-15(8-6-14)11-21(3)18(23)13-20(2)12-17(22)19-16-9-10-16/h5-8,16H,4,9-13H2,1-3H3,(H,19,22)/p+1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 318.44 g/mol, XLogP of 0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8910295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).