[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate

C16H20N2O3 — CID 87020117

IUPAC[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate
SMILESCNC(=O)COC(=O)c1cn(CC(C)C)c2ccccc12
InChIInChI=1S/C16H20N2O3/c1-11(2)8-18-9-13(12-6-4-5-7-14(12)18)16(20)21-10-15(19)17-3/h4-7,9,11H,8,10H2,1-3H3,(H,17,19)
InChIKeyLWZRTCCBYOTCSL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.20
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate

[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate (PubChem CID 87020117) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate
PubChem CID87020117
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate
SMILESCNC(=O)COC(=O)c1cn(CC(C)C)c2ccccc12
InChIInChI=1S/C16H20N2O3/c1-11(2)8-18-9-13(12-6-4-5-7-14(12)18)16(20)21-10-15(19)17-3/h4-7,9,11H,8,10H2,1-3H3,(H,17,19)
InChIKeyLWZRTCCBYOTCSL-UHFFFAOYSA-N
XLogP2.20
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 110900843
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 170857242
N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 86936630
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1-ethylindole-3-carboxylate
CID 46640429
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817073
CID 169304928
CID 169304928
N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 53015565
N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 87036364
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate
CID 42890150
3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide
CID 167972694

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate (CID 87020117) is [2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate is CNC(=O)COC(=O)c1cn(CC(C)C)c2ccccc12.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate?
The InChIKey is LWZRTCCBYOTCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(2)8-18-9-13(12-6-4-5-7-14(12)18)16(20)21-10-15(19)17-3/h4-7,9,11H,8,10H2,1-3H3,(H,17,19).
What are the key properties of [2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate?
[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate is sourced from PubChem (CID 87020117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).