[2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium

C17H22N3O3+ — CID 9317334

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C17H21N3O3/c1-3-11-4-7-14-13(8-11)16(22)17(23)20(14)10-19(2)9-15(21)18-12-5-6-12/h4,7-8,12H,3,5-6,9-10H2,1-2H3,(H,18,21)/p+1
InChIKeyFMUKIMVNHIRKGV-UHFFFAOYSA-O
MW316.38 g/mol
LogP-0.47
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium (PubChem CID 9317334) has the molecular formula C17H22N3O3+ and a molecular weight of 316.38 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium
PubChem CID9317334
Molecular FormulaC17H22N3O3+
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C17H21N3O3/c1-3-11-4-7-14-13(8-11)16(22)17(23)20(14)10-19(2)9-15(21)18-12-5-6-12/h4,7-8,12H,3,5-6,9-10H2,1-2H3,(H,18,21)/p+1
InChIKeyFMUKIMVNHIRKGV-UHFFFAOYSA-O
XLogP-0.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroxypropyl)-5-ethylindole-2,3-dione
CID 82850558
[2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 8910295
[2-(cyclopropylamino)-2-oxoethyl]-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-methylazanium
CID 9286101
5-ethyl-1-(pyrimidin-2-ylmethyl)indole-2,3-dione
CID 62699942
4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 9323832
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium
CID 9286106
5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61355634
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium
CID 8909754
(5-ethyl-2,3-dioxoindol-1-yl)methyl-methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
CID 9285141
2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide
CID 29299798
5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61355626
5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile
CID 65255931

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium (CID 9317334) is [2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium is CCc1ccc2c(c1)C(=O)C(=O)N2C[NH+](C)CC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium?
The InChIKey is FMUKIMVNHIRKGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N3O3/c1-3-11-4-7-14-13(8-11)16(22)17(23)20(14)10-19(2)9-15(21)18-12-5-6-12/h4,7-8,12H,3,5-6,9-10H2,1-2H3,(H,18,21)/p+1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium has a molecular weight of 316.38 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium is sourced from PubChem (CID 9317334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).