7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride

C17H26ClN3O2 — CID 119745258

IUPAC7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCCN1C(=O)Cc2ccccc21
InChIInChI=1S/C17H25N3O2.ClH/c18-10-6-2-1-3-9-16(21)19-11-12-20-15-8-5-4-7-14(15)13-17(20)22;/h4-5,7-8H,1-3,6,9-13,18H2,(H,19,21);1H
InChIKeyKJTDLTYSMNMFDG-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.02
Rot. Bonds9

About 7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride

7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride (PubChem CID 119745258) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
PubChem CID119745258
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCCN1C(=O)Cc2ccccc21
InChIInChI=1S/C17H25N3O2.ClH/c18-10-6-2-1-3-9-16(21)19-11-12-20-15-8-5-4-7-14(15)13-17(20)22;/h4-5,7-8H,1-3,6,9-13,18H2,(H,19,21);1H
InChIKeyKJTDLTYSMNMFDG-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(9H-acridin-10-yl)-N-(5-aminopentyl)hexanamide
CID 66643410
3-(2-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide
CID 110730068
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
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
6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243
2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730048
2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
CID 119745286
2-(4-methoxyphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730034
7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride
CID 119851304
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride (CID 119745258) is 7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCCN1C(=O)Cc2ccccc21.
What is the InChIKey of 7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride?
The InChIKey is KJTDLTYSMNMFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c18-10-6-2-1-3-9-16(21)19-11-12-20-15-8-5-4-7-14(15)13-17(20)22;/h4-5,7-8H,1-3,6,9-13,18H2,(H,19,21);1H.
What are the key properties of 7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride?
7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride is sourced from PubChem (CID 119745258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).