3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride

C19H30Cl2N4O2 — CID 120503366

IUPAC3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-14(15(2)20)19(24)21-17-3-4-18-16(13-17)5-6-23(18)8-7-22-9-11-25-12-10-22;;/h3-6,13-15H,7-12,20H2,1-2H3,(H,21,24);2*1H
InChIKeyPYGGQQADMKEXMU-UHFFFAOYSA-N
MW417.38 g/mol
LogP2.74
Rot. Bonds6

About 3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride

3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride (PubChem CID 120503366) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride
PubChem CID120503366
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC Name3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-14(15(2)20)19(24)21-17-3-4-18-16(13-17)5-6-23(18)8-7-22-9-11-25-12-10-22;;/h3-6,13-15H,7-12,20H2,1-2H3,(H,21,24);2*1H
InChIKeyPYGGQQADMKEXMU-UHFFFAOYSA-N
XLogP2.74
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea
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N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride (CID 120503366) is 3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride is CC(N)C(C)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride?
The InChIKey is PYGGQQADMKEXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c1-14(15(2)20)19(24)21-17-3-4-18-16(13-17)5-6-23(18)8-7-22-9-11-25-12-10-22;;/h3-6,13-15H,7-12,20H2,1-2H3,(H,21,24);2*1H.
What are the key properties of 3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride?
3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride is sourced from PubChem (CID 120503366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).