[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C25H32N2O3 — CID 7169318

IUPAC[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESC[C@H](NC(=O)COC(=O)CCc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H32N2O3/c1-16(25-11-17-8-18(12-25)10-19(9-17)13-25)27-23(28)15-30-24(29)7-6-20-14-26-22-5-3-2-4-21(20)22/h2-5,14,16-19,26H,6-13,15H2,1H3,(H,27,28)/t16-,17?,18?,19?,25?/m0/s1
InChIKeyLOSPPOUWIJYSAN-DUXBZUBYSA-N
MW408.54 g/mol
LogP4.36
Rot. Bonds7

About [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 7169318) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID7169318
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESC[C@H](NC(=O)COC(=O)CCc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H32N2O3/c1-16(25-11-17-8-18(12-25)10-19(9-17)13-25)27-23(28)15-30-24(29)7-6-20-14-26-22-5-3-2-4-21(20)22/h2-5,14,16-19,26H,6-13,15H2,1H3,(H,27,28)/t16-,17?,18?,19?,25?/m0/s1
InChIKeyLOSPPOUWIJYSAN-DUXBZUBYSA-N
XLogP4.36
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate with MolForge

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Related Compounds

[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664572
N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 7689156
N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 4810855
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871042
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169307
[2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 3908637
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(1H-indol-3-yl)propanoate
CID 40651024
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489152
2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 55349859
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750244
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577795

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 7169318) is [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is C[C@H](NC(=O)COC(=O)CCc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is LOSPPOUWIJYSAN-DUXBZUBYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-16(25-11-17-8-18(12-25)10-19(9-17)13-25)27-23(28)15-30-24(29)7-6-20-14-26-22-5-3-2-4-21(20)22/h2-5,14,16-19,26H,6-13,15H2,1H3,(H,27,28)/t16-,17?,18?,19?,25?/m0/s1.
What are the key properties of [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 408.54 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 7169318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).