(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride

C20H26Cl2N4O — CID 119957910

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
SMILESCN(CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)c1ccccc1.Cl.Cl
InChIInChI=1S/C20H24N4O.2ClH/c1-24(16-7-3-2-4-8-16)12-11-22-20(25)18(21)13-15-14-23-19-10-6-5-9-17(15)19;;/h2-10,14,18,23H,11-13,21H2,1H3,(H,22,25);2*1H/t18-;;/m0../s1
InChIKeyCYSKEWHVEQKRIK-NTEVMMBTSA-N
MW409.36 g/mol
LogP3.13
Rot. Bonds7

About (2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride

(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride (PubChem CID 119957910) has the molecular formula C20H26Cl2N4O and a molecular weight of 409.36 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
PubChem CID119957910
Molecular FormulaC20H26Cl2N4O
Molecular Weight409.36 g/mol
Exact Mass408.15
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
SMILESCN(CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)c1ccccc1.Cl.Cl
InChIInChI=1S/C20H24N4O.2ClH/c1-24(16-7-3-2-4-8-16)12-11-22-20(25)18(21)13-15-14-23-19-10-6-5-9-17(15)19;;/h2-10,14,18,23H,11-13,21H2,1H3,(H,22,25);2*1H/t18-;;/m0../s1
InChIKeyCYSKEWHVEQKRIK-NTEVMMBTSA-N
XLogP3.13
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride 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

(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 62642036
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 119958060
(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-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
(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-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride (CID 119957910) is (2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride is CN(CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)c1ccccc1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride?
The InChIKey is CYSKEWHVEQKRIK-NTEVMMBTSA-N. The full InChI is InChI=1S/C20H24N4O.2ClH/c1-24(16-7-3-2-4-8-16)12-11-22-20(25)18(21)13-15-14-23-19-10-6-5-9-17(15)19;;/h2-10,14,18,23H,11-13,21H2,1H3,(H,22,25);2*1H/t18-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride?
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride has a molecular weight of 409.36 g/mol, XLogP of 3.13, 7 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-(N-methylanilino)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119957910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).