2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride

C15H22ClN3O2 — CID 119745286

IUPAC2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCN1C(=O)Cc2ccccc21.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(10-16-2)15(20)17-7-8-18-13-6-4-3-5-12(13)9-14(18)19;/h3-6,11,16H,7-10H2,1-2H3,(H,17,20);1H
InChIKeyWWWXRZXVRCWPFY-UHFFFAOYSA-N
MW311.81 g/mol
LogP0.97
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride (PubChem CID 119745286) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
PubChem CID119745286
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCN1C(=O)Cc2ccccc21.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(10-16-2)15(20)17-7-8-18-13-6-4-3-5-12(13)9-14(18)19;/h3-6,11,16H,7-10H2,1-2H3,(H,17,20);1H
InChIKeyWWWXRZXVRCWPFY-UHFFFAOYSA-N
XLogP0.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide
CID 110730062
1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119745257
1-(3-hydroxybutyl)-3H-indol-2-one
CID 82239875
3,4-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730027
7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
CID 119745258
1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one
CID 114993317
4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730041
2-(3-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730070
3-(2-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide
CID 110730068
2-(4-methoxyphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730034
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride (CID 119745286) is 2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride is CNCC(C)C(=O)NCCN1C(=O)Cc2ccccc21.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride?
The InChIKey is WWWXRZXVRCWPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-11(10-16-2)15(20)17-7-8-18-13-6-4-3-5-12(13)9-14(18)19;/h3-6,11,16H,7-10H2,1-2H3,(H,17,20);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119745286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).