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

C16H22ClN3O2 — CID 119690426

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)CNCC3CC3)ccc21.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-11(20)19-7-6-13-8-14(4-5-15(13)19)18-16(21)10-17-9-12-2-3-12;/h4-5,8,12,17H,2-3,6-7,9-10H2,1H3,(H,18,21);1H
InChIKeyIAXKINRXCARFRJ-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.96
Rot. Bonds5

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

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119690426) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119690426
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCC(=O)N1CCc2cc(NC(=O)CNCC3CC3)ccc21.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-11(20)19-7-6-13-8-14(4-5-15(13)19)18-16(21)10-17-9-12-2-3-12;/h4-5,8,12,17H,2-3,6-7,9-10H2,1H3,(H,18,21);1H
InChIKeyIAXKINRXCARFRJ-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119690413
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
CID 30706791
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide
CID 17467776
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17493832

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119690426) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride is CC(=O)N1CCc2cc(NC(=O)CNCC3CC3)ccc21.Cl.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is IAXKINRXCARFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-11(20)19-7-6-13-8-14(4-5-15(13)19)18-16(21)10-17-9-12-2-3-12;/h4-5,8,12,17H,2-3,6-7,9-10H2,1H3,(H,18,21);1H.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119690426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).