(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride

C19H30Cl2N4O2 — CID 119957860

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride
SMILESCC(C)(CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)N1CCOCC1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-19(2,23-7-9-25-10-8-23)13-22-18(24)16(20)11-14-12-21-17-6-4-3-5-15(14)17;;/h3-6,12,16,21H,7-11,13,20H2,1-2H3,(H,22,24);2*1H/t16-;;/m0../s1
InChIKeyWKYXARSDVVFJQG-SQKCAUCHSA-N
MW417.38 g/mol
LogP2.11
Rot. Bonds6

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride

(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride (PubChem CID 119957860) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride
PubChem CID119957860
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride
SMILESCC(C)(CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)N1CCOCC1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-19(2,23-7-9-25-10-8-23)13-22-18(24)16(20)11-14-12-21-17-6-4-3-5-15(14)17;;/h3-6,12,16,21H,7-11,13,20H2,1-2H3,(H,22,24);2*1H/t16-;;/m0../s1
InChIKeyWKYXARSDVVFJQG-SQKCAUCHSA-N
XLogP2.11
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)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-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 119956298
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride
CID 119957472
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-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 56746946
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 119956280
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
(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-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119956844

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride (CID 119957860) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride is CC(C)(CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)N1CCOCC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride?
The InChIKey is WKYXARSDVVFJQG-SQKCAUCHSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c1-19(2,23-7-9-25-10-8-23)13-22-18(24)16(20)11-14-12-21-17-6-4-3-5-15(14)17;;/h3-6,12,16,21H,7-11,13,20H2,1-2H3,(H,22,24);2*1H/t16-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide;dihydrochloride is sourced from PubChem (CID 119957860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).