(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride

C19H27Cl2N5O — CID 154902585

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCN(CCCc1nccn1C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12.Cl.Cl
InChIInChI=1S/C19H25N5O.2ClH/c1-23-11-9-21-18(23)8-5-10-24(2)19(25)16(20)12-14-13-22-17-7-4-3-6-15(14)17;;/h3-4,6-7,9,11,13,16,22H,5,8,10,12,20H2,1-2H3;2*1H/t16-;;/m0../s1
InChIKeyOWSPHQPRBFLHFW-SQKCAUCHSA-N
MW412.37 g/mol
LogP2.71
Rot. Bonds7

About (2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride

(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride (PubChem CID 154902585) has the molecular formula C19H27Cl2N5O and a molecular weight of 412.37 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride
PubChem CID154902585
Molecular FormulaC19H27Cl2N5O
Molecular Weight412.37 g/mol
Exact Mass411.16
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCN(CCCc1nccn1C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12.Cl.Cl
InChIInChI=1S/C19H25N5O.2ClH/c1-23-11-9-21-18(23)8-5-10-24(2)19(25)16(20)12-14-13-22-17-7-4-3-6-15(14)17;;/h3-4,6-7,9,11,13,16,22H,5,8,10,12,20H2,1-2H3;2*1H/t16-;;/m0../s1
InChIKeyOWSPHQPRBFLHFW-SQKCAUCHSA-N
XLogP2.71
TPSA79.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 76892125
3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
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2-acetamido-N-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
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(2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide
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(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
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(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride (CID 154902585) is (2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride is CN(CCCc1nccn1C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride?
The InChIKey is OWSPHQPRBFLHFW-SQKCAUCHSA-N. The full InChI is InChI=1S/C19H25N5O.2ClH/c1-23-11-9-21-18(23)8-5-10-24(2)19(25)16(20)12-14-13-22-17-7-4-3-6-15(14)17;;/h3-4,6-7,9,11,13,16,22H,5,8,10,12,20H2,1-2H3;2*1H/t16-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride?
(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride has a molecular weight of 412.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 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-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride is sourced from PubChem (CID 154902585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).