[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate

C21H20N2O3 — CID 46827409

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-23-13-17(16-9-5-6-10-18(16)23)21(25)26-19(14-7-3-2-4-8-14)20(24)22-15-11-12-15/h2-10,13,15,19H,11-12H2,1H3,(H,22,24)
InChIKeyRWJOOXZIPKEFRQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.36
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate (PubChem CID 46827409) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
PubChem CID46827409
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-23-13-17(16-9-5-6-10-18(16)23)21(25)26-19(14-7-3-2-4-8-14)20(24)22-15-11-12-15/h2-10,13,15,19H,11-12H2,1H3,(H,22,24)
InChIKeyRWJOOXZIPKEFRQ-UHFFFAOYSA-N
XLogP3.36
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 41471077
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927503
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 18198939
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18103039
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
CID 42774766
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 55389938
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate (CID 46827409) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate is Cn1cc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)c2ccccc21.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate?
The InChIKey is RWJOOXZIPKEFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-23-13-17(16-9-5-6-10-18(16)23)21(25)26-19(14-7-3-2-4-8-14)20(24)22-15-11-12-15/h2-10,13,15,19H,11-12H2,1H3,(H,22,24).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 46827409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).