2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide

C28H32N2O2 — CID 24599851

IUPAC2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H32N2O2/c31-26(15-27-11-19-10-20(12-27)14-28(32,13-19)18-27)30-16-23(21-6-2-1-3-7-21)24-17-29-25-9-5-4-8-22(24)25/h1-9,17,19-20,23,29,32H,10-16,18H2,(H,30,31)
InChIKeyDMQSBWGEZNRKCF-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.14
Rot. Bonds6

About 2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide

2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide (PubChem CID 24599851) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
PubChem CID24599851
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H32N2O2/c31-26(15-27-11-19-10-20(12-27)14-28(32,13-19)18-27)30-16-23(21-6-2-1-3-7-21)24-17-29-25-9-5-4-8-22(24)25/h1-9,17,19-20,23,29,32H,10-16,18H2,(H,30,31)
InChIKeyDMQSBWGEZNRKCF-UHFFFAOYSA-N
XLogP5.14
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24629047
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
CID 46471647
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617194
1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide
CID 31818312
N-[2-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55370138
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24599874
2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129896
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 94036177

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide (CID 24599851) is 2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide is O=C(CC12CC3CC(CC(O)(C3)C1)C2)NCC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The InChIKey is DMQSBWGEZNRKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c31-26(15-27-11-19-10-20(12-27)14-28(32,13-19)18-27)30-16-23(21-6-2-1-3-7-21)24-17-29-25-9-5-4-8-22(24)25/h1-9,17,19-20,23,29,32H,10-16,18H2,(H,30,31).
What are the key properties of 2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide has a molecular weight of 428.58 g/mol, XLogP of 5.14, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 24599851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).