(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide

C16H23N3O — CID 103830896

IUPAC(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-2-3-7-14(17)16(20)18-10-9-12-11-19-15-8-5-4-6-13(12)15/h4-6,8,11,14,19H,2-3,7,9-10,17H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyYJSYKNCTTPKFBS-AWEZNQCLSA-N
MW273.38 g/mol
LogP2.34
Rot. Bonds7

About (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide

(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide (PubChem CID 103830896) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
PubChem CID103830896
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-2-3-7-14(17)16(20)18-10-9-12-11-19-15-8-5-4-6-13(12)15/h4-6,8,11,14,19H,2-3,7,9-10,17H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyYJSYKNCTTPKFBS-AWEZNQCLSA-N
XLogP2.34
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
benzyl N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxohexan-2-yl]carbamate
CID 178135953
1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine
CID 83960679
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate
CID 178136031
2-amino-3-(1H-indol-3-yl)propanoic acid;tetrabutylphosphanium
CID 174977427
N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide
CID 108528550
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide (CID 103830896) is (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide is CCCC[C@H](N)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The InChIKey is YJSYKNCTTPKFBS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-3-7-14(17)16(20)18-10-9-12-11-19-15-8-5-4-6-13(12)15/h4-6,8,11,14,19H,2-3,7,9-10,17H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide has a molecular weight of 273.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 103830896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).