[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate

C19H24N2O5 — CID 18098806

IUPAC[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate
SMILESCCC(C)C(NC(=O)COC(=O)c1c(C)[nH]c2ccccc12)C(=O)OC
InChIInChI=1S/C19H24N2O5/c1-5-11(2)17(19(24)25-4)21-15(22)10-26-18(23)16-12(3)20-14-9-7-6-8-13(14)16/h6-9,11,17,20H,5,10H2,1-4H3,(H,21,22)
InChIKeyLWILHFXUVQTWFT-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.34
Rot. Bonds7

About [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate

[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate (PubChem CID 18098806) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate
PubChem CID18098806
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate
SMILESCCC(C)C(NC(=O)COC(=O)c1c(C)[nH]c2ccccc12)C(=O)OC
InChIInChI=1S/C19H24N2O5/c1-5-11(2)17(19(24)25-4)21-15(22)10-26-18(23)16-12(3)20-14-9-7-6-8-13(14)16/h6-9,11,17,20H,5,10H2,1-4H3,(H,21,22)
InChIKeyLWILHFXUVQTWFT-UHFFFAOYSA-N
XLogP2.34
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate
CID 18098798
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-methylbenzoate
CID 9018193
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289420
(2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119194327
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 18201287
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
CID 18092590
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18202221
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-chlorobenzoate
CID 18200968
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 18201102
methyl (2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pent-4-enoate
CID 97256616
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate
CID 9199889

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate?
The IUPAC name of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate (CID 18098806) is [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate is CCC(C)C(NC(=O)COC(=O)c1c(C)[nH]c2ccccc12)C(=O)OC.
What is the InChIKey of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate?
The InChIKey is LWILHFXUVQTWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-5-11(2)17(19(24)25-4)21-15(22)10-26-18(23)16-12(3)20-14-9-7-6-8-13(14)16/h6-9,11,17,20H,5,10H2,1-4H3,(H,21,22).
What are the key properties of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate?
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 18098806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).