[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate

C23H28N2O3 — CID 7960224

IUPAC[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
SMILESC[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28N2O3/c1-14(28-21(26)9-18-13-24-20-5-3-2-4-19(18)20)22(27)25-23-10-15-6-16(11-23)8-17(7-15)12-23/h2-5,13-17,24H,6-12H2,1H3,(H,25,27)/t14-,15?,16?,17?,23?/m1/s1
InChIKeyYPOLWRPKHJYJRX-KWJFTMPMSA-N
MW380.49 g/mol
LogP3.73
Rot. Bonds5

About [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate

[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate (PubChem CID 7960224) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
PubChem CID7960224
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
SMILESC[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28N2O3/c1-14(28-21(26)9-18-13-24-20-5-3-2-4-19(18)20)22(27)25-23-10-15-6-16(11-23)8-17(7-15)12-23/h2-5,13-17,24H,6-12H2,1H3,(H,25,27)/t14-,15?,16?,17?,23?/m1/s1
InChIKeyYPOLWRPKHJYJRX-KWJFTMPMSA-N
XLogP3.73
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 42902130
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7259091
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789748
N-(1-adamantyl)-3-(1H-indol-3-ylmethylsulfanyl)propanamide
CID 51362129
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664572
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960222
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7664829
[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 11919601
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 40616153
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 8789544
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960233
[(2R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 30442437

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate (CID 7960224) is [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate is C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?
The InChIKey is YPOLWRPKHJYJRX-KWJFTMPMSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-14(28-21(26)9-18-13-24-20-5-3-2-4-19(18)20)22(27)25-23-10-15-6-16(11-23)8-17(7-15)12-23/h2-5,13-17,24H,6-12H2,1H3,(H,25,27)/t14-,15?,16?,17?,23?/m1/s1.
What are the key properties of [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate has a molecular weight of 380.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).