ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium

C22H26N3O2+ — CID 9044456

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-3-23-20(27)15-25(4-2)14-19(26)21-17-12-8-9-13-18(17)24-22(21)16-10-6-5-7-11-16/h5-13,24H,3-4,14-15H2,1-2H3,(H,23,27)/p+1
InChIKeyNELPEKNSIWQVBR-UHFFFAOYSA-O
MW364.47 g/mol
LogP2.06
Rot. Bonds8

About ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium (PubChem CID 9044456) has the molecular formula C22H26N3O2+ and a molecular weight of 364.47 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
PubChem CID9044456
Molecular FormulaC22H26N3O2+
Molecular Weight364.47 g/mol
Exact Mass364.20
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-3-23-20(27)15-25(4-2)14-19(26)21-17-12-8-9-13-18(17)24-22(21)16-10-6-5-7-11-16/h5-13,24H,3-4,14-15H2,1-2H3,(H,23,27)/p+1
InChIKeyNELPEKNSIWQVBR-UHFFFAOYSA-O
XLogP2.06
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
CID 9045047
1-O-ethyl 4-O-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate
CID 7851494
1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 9033533
[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907146
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate
CID 7775436
2-(4-methylpiperazine-1,4-diium-1-yl)-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 6997322
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818951
2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one
CID 43140038
ethyl (E)-3-(2-phenyl-1H-indol-3-yl)but-2-enoate
CID 135019342
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796030
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate
CID 7758132
1-(2-phenyl-1H-indol-3-yl)propan-2-one
CID 83780172

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium (CID 9044456) is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The InChIKey is NELPEKNSIWQVBR-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25N3O2/c1-3-23-20(27)15-25(4-2)14-19(26)21-17-12-8-9-13-18(17)24-22(21)16-10-6-5-7-11-16/h5-13,24H,3-4,14-15H2,1-2H3,(H,23,27)/p+1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium has a molecular weight of 364.47 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 9044456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).