[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate

C20H20N2O3 — CID 42918412

IUPAC[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCC(c1ccccc1)N(C)C(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H20N2O3/c1-14(15-8-4-3-5-9-15)22(2)19(23)13-25-20(24)18-12-16-10-6-7-11-17(16)21-18/h3-12,14,21H,13H2,1-2H3
InChIKeyYUBOVEDLUPHZIK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.54
Rot. Bonds5

About [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate

[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 42918412) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID42918412
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCC(c1ccccc1)N(C)C(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H20N2O3/c1-14(15-8-4-3-5-9-15)22(2)19(23)13-25-20(24)18-12-16-10-6-7-11-17(16)21-18/h3-12,14,21H,13H2,1-2H3
InChIKeyYUBOVEDLUPHZIK-UHFFFAOYSA-N
XLogP3.54
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 46544929
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
CID 18081770
[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 4882710
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 55365016
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 46810880
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 43051091
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 28605400
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 55374904
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723665
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3-cyanobenzoate
CID 18192150

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate (CID 42918412) is [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate is CC(c1ccccc1)N(C)C(=O)COC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is YUBOVEDLUPHZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14(15-8-4-3-5-9-15)22(2)19(23)13-25-20(24)18-12-16-10-6-7-11-17(16)21-18/h3-12,14,21H,13H2,1-2H3.
What are the key properties of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate?
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 42918412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).