2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride

C14H18ClN3O2 — CID 174341226

IUPAC2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride
SMILESCC(N)(CCC(=O)c1c[nH]c2ccccc12)C(N)=O.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-14(16,13(15)19)7-6-12(18)10-8-17-11-5-3-2-4-9(10)11;/h2-5,8,17H,6-7,16H2,1H3,(H2,15,19);1H
InChIKeyZUIFKWJYWVGUGN-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.76
Rot. Bonds5

About 2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride

2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride (PubChem CID 174341226) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride
PubChem CID174341226
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride
SMILESCC(N)(CCC(=O)c1c[nH]c2ccccc12)C(N)=O.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-14(16,13(15)19)7-6-12(18)10-8-17-11-5-3-2-4-9(10)11;/h2-5,8,17H,6-7,16H2,1H3,(H2,15,19);1H
InChIKeyZUIFKWJYWVGUGN-UHFFFAOYSA-N
XLogP1.76
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
CID 4999074
6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride
CID 174474580
5-(1H-indol-3-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 55156722
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one
CID 174474581
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride?
The IUPAC name of 2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride (CID 174341226) is 2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride.
What is the SMILES notation for 2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride?
The canonical SMILES for 2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride is CC(N)(CCC(=O)c1c[nH]c2ccccc12)C(N)=O.Cl.
What is the InChIKey of 2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride?
The InChIKey is ZUIFKWJYWVGUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-14(16,13(15)19)7-6-12(18)10-8-17-11-5-3-2-4-9(10)11;/h2-5,8,17H,6-7,16H2,1H3,(H2,15,19);1H.
What are the key properties of 2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride?
2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride is sourced from PubChem (CID 174341226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).