[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate

C23H20N2O3 — CID 8816900

IUPAC[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
SMILESC[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O3/c1-15(22(26)24-18-12-11-16-7-3-4-8-17(16)13-18)28-23(27)20-14-25(2)21-10-6-5-9-19(20)21/h3-15H,1-2H3,(H,24,26)/t15-/m0/s1
InChIKeyBTLGMCBUQLBNMS-HNNXBMFYSA-N
MW372.42 g/mol
LogP4.52
Rot. Bonds4

About [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate

[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate (PubChem CID 8816900) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
PubChem CID8816900
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
SMILESC[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O3/c1-15(22(26)24-18-12-11-16-7-3-4-8-17(16)13-18)28-23(27)20-14-25(2)21-10-6-5-9-19(20)21/h3-15H,1-2H3,(H,24,26)/t15-/m0/s1
InChIKeyBTLGMCBUQLBNMS-HNNXBMFYSA-N
XLogP4.52
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8526512
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
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[(2S)-1-amino-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
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[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
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[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
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[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate
CID 7951566
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
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[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate
CID 34021587
[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
The IUPAC name of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate (CID 8816900) is [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
The canonical SMILES for [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate is C[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
The InChIKey is BTLGMCBUQLBNMS-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15(22(26)24-18-12-11-16-7-3-4-8-17(16)13-18)28-23(27)20-14-25(2)21-10-6-5-9-19(20)21/h3-15H,1-2H3,(H,24,26)/t15-/m0/s1.
What are the key properties of [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate?
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 8816900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).