(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one

C16H22N2O2 — CID 170000579

IUPAC(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one
SMILESCCN(CC)[C@@H](C)C(=O)n1ccc2cc(OC)ccc21
InChIInChI=1S/C16H22N2O2/c1-5-17(6-2)12(3)16(19)18-10-9-13-11-14(20-4)7-8-15(13)18/h7-12H,5-6H2,1-4H3/t12-/m0/s1
InChIKeyKESXPXNFDJDKOX-LBPRGKRZSA-N
MW274.36 g/mol
LogP3.02
Rot. Bonds5

About (2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one

(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one (PubChem CID 170000579) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one
PubChem CID170000579
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one
SMILESCCN(CC)[C@@H](C)C(=O)n1ccc2cc(OC)ccc21
InChIInChI=1S/C16H22N2O2/c1-5-17(6-2)12(3)16(19)18-10-9-13-11-14(20-4)7-8-15(13)18/h7-12H,5-6H2,1-4H3/t12-/m0/s1
InChIKeyKESXPXNFDJDKOX-LBPRGKRZSA-N
XLogP3.02
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxyindole-1-carboxylic acid
CID 68566461
cyanomethyl 5-methoxyindole-1-carboxylate
CID 141286697
5-methoxy-N-(4-methoxyphenyl)indole-1-carboxamide
CID 173299571
2-hydroxy-3-(5-methoxyindol-1-yl)propanal
CID 145175310
2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282497
(2R)-2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282498
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 139083916
2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one
CID 162388704
(1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762111
N-benzyl-5-methoxyindole-1-carboxamide
CID 11055060
(2S)-2-[[1-[(2S)-2-(diethylamino)propanoyl]-5-(trifluoromethoxy)indol-3-yl]methyl-methylamino]-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one
CID 162388832
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one?
The IUPAC name of (2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one (CID 170000579) is (2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one is CCN(CC)[C@@H](C)C(=O)n1ccc2cc(OC)ccc21.
What is the InChIKey of (2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one?
The InChIKey is KESXPXNFDJDKOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-17(6-2)12(3)16(19)18-10-9-13-11-14(20-4)7-8-15(13)18/h7-12H,5-6H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one?
(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one has a molecular weight of 274.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one is sourced from PubChem (CID 170000579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).