2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one

C20H22N2O — CID 22369168

IUPAC2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one
SMILESCc1ccccc1CCC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O/c1-14-6-2-3-7-15(14)10-11-20(23)18(21)12-16-13-22-19-9-5-4-8-17(16)19/h2-9,13,18,22H,10-12,21H2,1H3
InChIKeyUECXZUPMLWHJGQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.55
Rot. Bonds6

About 2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one

2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one (PubChem CID 22369168) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one.

Molecular Properties

Compound Name2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one
PubChem CID22369168
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one
SMILESCc1ccccc1CCC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O/c1-14-6-2-3-7-15(14)10-11-20(23)18(21)12-16-13-22-19-9-5-4-8-17(16)19/h2-9,13,18,22H,10-12,21H2,1H3
InChIKeyUECXZUPMLWHJGQ-UHFFFAOYSA-N
XLogP3.55
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
(3S)-3-amino-6-(1H-indol-3-yl)-4-oxohexanoic acid
CID 173302249
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one?
The IUPAC name of 2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one (CID 22369168) is 2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one.
What is the SMILES notation for 2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one?
The canonical SMILES for 2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one is Cc1ccccc1CCC(=O)C(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one?
The InChIKey is UECXZUPMLWHJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-6-2-3-7-15(14)10-11-20(23)18(21)12-16-13-22-19-9-5-4-8-17(16)19/h2-9,13,18,22H,10-12,21H2,1H3.
What are the key properties of 2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one?
2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one has a molecular weight of 306.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1H-indol-3-yl)-5-(2-methylphenyl)pentan-3-one is sourced from PubChem (CID 22369168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).