(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride

C16H24ClN3O2 — CID 119957472

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride
SMILESCOC(C)(C)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-16(2,21-3)10-19-15(20)13(17)8-11-9-18-14-7-5-4-6-12(11)14;/h4-7,9,13,18H,8,10,17H2,1-3H3,(H,19,20);1H/t13-;/m0./s1
InChIKeyZQHFDNCGBPEDMK-ZOWNYOTGSA-N
MW325.84 g/mol
LogP2.00
Rot. Bonds6

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride

(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride (PubChem CID 119957472) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride
PubChem CID119957472
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride
SMILESCOC(C)(C)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-16(2,21-3)10-19-15(20)13(17)8-11-9-18-14-7-5-4-6-12(11)14;/h4-7,9,13,18H,8,10,17H2,1-3H3,(H,19,20);1H/t13-;/m0./s1
InChIKeyZQHFDNCGBPEDMK-ZOWNYOTGSA-N
XLogP2.00
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide
CID 114350846
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide
CID 102694962
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1H-indol-3-yl)propanamide
CID 119956154
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride
CID 119957860
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride (CID 119957472) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride is COC(C)(C)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.Cl.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride?
The InChIKey is ZQHFDNCGBPEDMK-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-16(2,21-3)10-19-15(20)13(17)8-11-9-18-14-7-5-4-6-12(11)14;/h4-7,9,13,18H,8,10,17H2,1-3H3,(H,19,20);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119957472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).