cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium

C19H26N3O3+ — CID 6955314

IUPACcyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+](C)C1CCCCC1
InChIInChI=1S/C19H25N3O3/c1-22(13-8-4-3-5-9-13)12-16(23)21-17-14-10-6-7-11-15(14)20-18(17)19(24)25-2/h6-7,10-11,13,20H,3-5,8-9,12H2,1-2H3,(H,21,23)/p+1
InChIKeyXYWLHQVSNXLWKF-UHFFFAOYSA-O
MW344.44 g/mol
LogP1.74
Rot. Bonds5

About cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium

cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium (PubChem CID 6955314) has the molecular formula C19H26N3O3+ and a molecular weight of 344.44 g/mol. Its IUPAC name is cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Namecyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium
PubChem CID6955314
Molecular FormulaC19H26N3O3+
Molecular Weight344.44 g/mol
Exact Mass344.20
IUPAC Namecyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+](C)C1CCCCC1
InChIInChI=1S/C19H25N3O3/c1-22(13-8-4-3-5-9-13)12-16(23)21-17-14-10-6-7-11-15(14)20-18(17)19(24)25-2/h6-7,10-11,13,20H,3-5,8-9,12H2,1-2H3,(H,21,23)/p+1
InChIKeyXYWLHQVSNXLWKF-UHFFFAOYSA-O
XLogP1.74
TPSA75.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-1H-indole-2-carboxylate
CID 930919
cyclohexyl-[2-[(2-ethoxycarbonyl-5,6-dimethoxy-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium
CID 2009886
methyl 3-[[2-(azepan-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 658228
[2-[(2-ethoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
CID 6954169
methyl 3-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 7390622
methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 56689811
methyl 3-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 7407187
cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8902222
methyl 3-[[2-(3,3-dimethylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 6956860
cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium
CID 2536830
methyl 3-[[2-(4-cyclohexylpiperazine-1,4-diium-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylate
CID 2014742
methyl 3-[[(5S,7S)-3-bromoadamantane-1-carbonyl]amino]-1H-indole-2-carboxylate
CID 98142499

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium?
The IUPAC name of cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium (CID 6955314) is cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium is COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+](C)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium?
The InChIKey is XYWLHQVSNXLWKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3O3/c1-22(13-8-4-3-5-9-13)12-16(23)21-17-14-10-6-7-11-15(14)20-18(17)19(24)25-2/h6-7,10-11,13,20H,3-5,8-9,12H2,1-2H3,(H,21,23)/p+1.
What are the key properties of cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium?
cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium has a molecular weight of 344.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-[(2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 6955314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).