5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one

C21H26N2O2 — CID 123837849

IUPAC5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one
SMILESNC(CCc1ccccc1)C(O)CCC(=O)N1CCc2ccccc21
InChIInChI=1S/C21H26N2O2/c22-18(11-10-16-6-2-1-3-7-16)20(24)12-13-21(25)23-15-14-17-8-4-5-9-19(17)23/h1-9,18,20,24H,10-15,22H2
InChIKeyIEKCUVSKAKOAGM-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.68
Rot. Bonds7

About 5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one

5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one (PubChem CID 123837849) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one.

Molecular Properties

Compound Name5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one
PubChem CID123837849
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one
SMILESNC(CCc1ccccc1)C(O)CCC(=O)N1CCc2ccccc21
InChIInChI=1S/C21H26N2O2/c22-18(11-10-16-6-2-1-3-7-16)20(24)12-13-21(25)23-15-14-17-8-4-5-9-19(17)23/h1-9,18,20,24H,10-15,22H2
InChIKeyIEKCUVSKAKOAGM-UHFFFAOYSA-N
XLogP2.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
3-phenylpropyl 5-(2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 4923773
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-phenylethyl)methanesulfonamide
CID 113140199
(2S)-2-amino-N-[(3S)-6-(2,3-dihydroindol-1-yl)-6-oxo-1-phenylhex-4-en-3-yl]butanamide
CID 67772432
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one
CID 8849754
3-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-phenylpropanamide
CID 119784082
5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one
CID 82683241
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111097758

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one?
The IUPAC name of 5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one (CID 123837849) is 5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one.
What is the SMILES notation for 5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one?
The canonical SMILES for 5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one is NC(CCc1ccccc1)C(O)CCC(=O)N1CCc2ccccc21.
What is the InChIKey of 5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one?
The InChIKey is IEKCUVSKAKOAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c22-18(11-10-16-6-2-1-3-7-16)20(24)12-13-21(25)23-15-14-17-8-4-5-9-19(17)23/h1-9,18,20,24H,10-15,22H2.
What are the key properties of 5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one?
5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one has a molecular weight of 338.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,3-dihydroindol-1-yl)-4-hydroxy-7-phenylheptan-1-one is sourced from PubChem (CID 123837849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).