[2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate

C17H22N2O3 — CID 18098798

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate
SMILESCCCC(C)NC(=O)COC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H22N2O3/c1-4-7-11(2)18-15(20)10-22-17(21)16-12(3)19-14-9-6-5-8-13(14)16/h5-6,8-9,11,19H,4,7,10H2,1-3H3,(H,18,20)
InChIKeyZSQAPFZJYUUBRR-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.94
Rot. Bonds6

About [2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate

[2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate (PubChem CID 18098798) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate
PubChem CID18098798
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate
SMILESCCCC(C)NC(=O)COC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H22N2O3/c1-4-7-11(2)18-15(20)10-22-17(21)16-12(3)19-14-9-6-5-8-13(14)16/h5-6,8-9,11,19H,4,7,10H2,1-3H3,(H,18,20)
InChIKeyZSQAPFZJYUUBRR-UHFFFAOYSA-N
XLogP2.94
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate
CID 18098806
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] anthracene-9-carboxylate
CID 2630406
2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 43161219
[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
CID 18081770
[2-oxo-2-(pentan-2-ylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 3502180
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 18081778
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228519
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2549602
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(1H-indol-3-yl)propanoate
CID 40651024
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate
CID 35192559
2-O-ethyl 4-O-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8576179

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate (CID 18098798) is [2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate is CCCC(C)NC(=O)COC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate?
The InChIKey is ZSQAPFZJYUUBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-7-11(2)18-15(20)10-22-17(21)16-12(3)19-14-9-6-5-8-13(14)16/h5-6,8-9,11,19H,4,7,10H2,1-3H3,(H,18,20).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 18098798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).