ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate

C20H24N2O4 — CID 143885849

IUPACethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)C(=O)c1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C20H24N2O4/c1-2-26-18(23)13-22(14-8-4-3-5-9-14)20(25)19(24)16-12-21-17-11-7-6-10-15(16)17/h6-7,10-12,14,21H,2-5,8-9,13H2,1H3
InChIKeyFQYWJEMSBHUNMF-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.08
Rot. Bonds6

About ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate

ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate (PubChem CID 143885849) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
PubChem CID143885849
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nameethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)C(=O)c1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C20H24N2O4/c1-2-26-18(23)13-22(14-8-4-3-5-9-14)20(25)19(24)16-12-21-17-11-7-6-10-15(16)17/h6-7,10-12,14,21H,2-5,8-9,13H2,1H3
InChIKeyFQYWJEMSBHUNMF-UHFFFAOYSA-N
XLogP3.08
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888882
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
N-(2-amino-2-oxoethyl)-N-cyclopentyl-1H-indole-3-carboxamide
CID 60958792
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
ethyl 2-[[2-(1H-indol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetate
CID 56526195
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
N-cyclohexyl-1-(1H-indole-3-carbonyl)-N-propan-2-ylazetidine-3-carboxamide
CID 90511650
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
diethyl (E)-2-hydroxy-3-(1H-indol-3-yl)but-2-enedioate
CID 177467670
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
benzyl 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate
CID 10766526

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate (CID 143885849) is ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate is CCOC(=O)CN(C(=O)C(=O)c1c[nH]c2ccccc12)C1CCCCC1.
What is the InChIKey of ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
The InChIKey is FQYWJEMSBHUNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-26-18(23)13-22(14-8-4-3-5-9-14)20(25)19(24)16-12-21-17-11-7-6-10-15(16)17/h6-7,10-12,14,21H,2-5,8-9,13H2,1H3.
What are the key properties of ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate has a molecular weight of 356.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate is sourced from PubChem (CID 143885849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).