[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate

C25H24N2O3 — CID 7659203

IUPAC[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
SMILESC[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C25H24N2O3/c1-17(25(29)27-23-14-6-9-18-8-2-3-11-20(18)23)30-24(28)15-7-10-19-16-26-22-13-5-4-12-21(19)22/h2-6,8-9,11-14,16-17,26H,7,10,15H2,1H3,(H,27,29)/t17-/m0/s1
InChIKeyRAUWJGKLIMWTAU-KRWDZBQOSA-N
MW400.48 g/mol
LogP5.21
Rot. Bonds7

About [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate

[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate (PubChem CID 7659203) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
PubChem CID7659203
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
SMILESC[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C25H24N2O3/c1-17(25(29)27-23-14-6-9-18-8-2-3-11-20(18)23)30-24(28)15-7-10-19-16-26-22-13-5-4-12-21(19)22/h2-6,8-9,11-14,16-17,26H,7,10,15H2,1H3,(H,27,29)/t17-/m0/s1
InChIKeyRAUWJGKLIMWTAU-KRWDZBQOSA-N
XLogP5.21
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate with MolForge

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Related Compounds

[1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 18271241
[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 29436588
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 7958610
[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 4884826
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 45353849
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 8942689
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 55418939
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2434282
(2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate
CID 174814617
4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide
CID 29371800
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate (CID 7659203) is [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate is C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate?
The InChIKey is RAUWJGKLIMWTAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17(25(29)27-23-14-6-9-18-8-2-3-11-20(18)23)30-24(28)15-7-10-19-16-26-22-13-5-4-12-21(19)22/h2-6,8-9,11-14,16-17,26H,7,10,15H2,1H3,(H,27,29)/t17-/m0/s1.
What are the key properties of [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate?
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate has a molecular weight of 400.48 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 7659203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).