N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C17H24ClN3O3 — CID 119690413

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)CNCC3CCCO3)ccc21.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-12(21)20-7-6-13-9-14(4-5-16(13)20)19-17(22)11-18-10-15-3-2-8-23-15;/h4-5,9,15,18H,2-3,6-8,10-11H2,1H3,(H,19,22);1H
InChIKeyIIEGHWVNFDWQKZ-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.72
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 119690413) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID119690413
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)CNCC3CCCO3)ccc21.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-12(21)20-7-6-13-9-14(4-5-16(13)20)19-17(22)11-18-10-15-3-2-8-23-15;/h4-5,9,15,18H,2-3,6-8,10-11H2,1H3,(H,19,22);1H
InChIKeyIIEGHWVNFDWQKZ-UHFFFAOYSA-N
XLogP1.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
CID 30706791
N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119694259
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815292
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54815821
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride
CID 119673691
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 119690413) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is CC(=O)N1CCc2cc(NC(=O)CNCC3CCCO3)ccc21.Cl.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is IIEGHWVNFDWQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-12(21)20-7-6-13-9-14(4-5-16(13)20)19-17(22)11-18-10-15-3-2-8-23-15;/h4-5,9,15,18H,2-3,6-8,10-11H2,1H3,(H,19,22);1H.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119690413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).