[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate

C23H26N2O3 — CID 8817690

IUPAC[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate
SMILESCCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-4-10-20(17-11-6-5-7-12-17)24-22(26)16(2)28-23(27)19-15-25(3)21-14-9-8-13-18(19)21/h5-9,11-16,20H,4,10H2,1-3H3,(H,24,26)/t16-,20-/m1/s1
InChIKeyANKHOLWMLDGNDW-OXQOHEQNSA-N
MW378.47 g/mol
LogP4.38
Rot. Bonds7

About [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate

[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate (PubChem CID 8817690) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate
PubChem CID8817690
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate
SMILESCCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-4-10-20(17-11-6-5-7-12-17)24-22(26)16(2)28-23(27)19-15-25(3)21-14-9-8-13-18(19)21/h5-9,11-16,20H,4,10H2,1-3H3,(H,24,26)/t16-,20-/m1/s1
InChIKeyANKHOLWMLDGNDW-OXQOHEQNSA-N
XLogP4.38
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate with MolForge

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 40518343
[1-oxo-1-(1-phenylbutylamino)propan-2-yl] 2-hydroxy-3-methoxybenzoate
CID 55366346
[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 41471077
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 8816900
[(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-fluoro-5-sulfamoylbenzoate
CID 9487710
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 46827409
[1-oxo-1-(1-phenylbutylamino)propan-2-yl] (E)-3-phenylprop-2-enoate
CID 46810097
[(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985720
[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 9457834
[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
CID 9487417
[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2H-chromene-3-carboxylate
CID 8748933
N-[2-(dimethylamino)-1-phenylethyl]-1-methylindole-3-carboxamide
CID 24504351

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate (CID 8817690) is [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate is CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cn(C)c2ccccc12)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate?
The InChIKey is ANKHOLWMLDGNDW-OXQOHEQNSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-10-20(17-11-6-5-7-12-17)24-22(26)16(2)28-23(27)19-15-25(3)21-14-9-8-13-18(19)21/h5-9,11-16,20H,4,10H2,1-3H3,(H,24,26)/t16-,20-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate?
[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 8817690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).