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

C23H27NO3 — CID 3908637

IUPAC[2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H27NO3/c25-21(23-10-15-7-16(11-23)9-17(8-15)12-23)14-27-22(26)6-5-18-13-24-20-4-2-1-3-19(18)20/h1-4,13,15-17,24H,5-12,14H2
InChIKeyRTLSQIGHHAEKIV-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.43
Rot. Bonds6

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

[2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 3908637) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID3908637
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H27NO3/c25-21(23-10-15-7-16(11-23)9-17(8-15)12-23)14-27-22(26)6-5-18-13-24-20-4-2-1-3-19(18)20/h1-4,13,15-17,24H,5-12,14H2
InChIKeyRTLSQIGHHAEKIV-UHFFFAOYSA-N
XLogP4.43
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169318
[2-(4-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2146219
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577795
[2-(3-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 8675713
[2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2362813
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2497114
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169259
N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 4810855
N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 7689156
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2556581
N-[3-[2-(1H-indol-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide
CID 24888570
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169328

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 3908637) is [2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is O=C(CCc1c[nH]c2ccccc12)OCC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is RTLSQIGHHAEKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c25-21(23-10-15-7-16(11-23)9-17(8-15)12-23)14-27-22(26)6-5-18-13-24-20-4-2-1-3-19(18)20/h1-4,13,15-17,24H,5-12,14H2.
What are the key properties of [2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 365.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 3908637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).