7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide

C17H25N3O2 — CID 119736199

IUPAC7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
SMILESCC(NC(=O)CCCCCCN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H25N3O2/c1-12(19-16(21)6-4-2-3-5-9-18)13-7-8-15-14(10-13)11-17(22)20-15/h7-8,10,12H,2-6,9,11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyPVGOAJGXWUDSLE-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.27
Rot. Bonds8

About 7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide

7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide (PubChem CID 119736199) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
PubChem CID119736199
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
SMILESCC(NC(=O)CCCCCCN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H25N3O2/c1-12(19-16(21)6-4-2-3-5-9-18)13-7-8-15-14(10-13)11-17(22)20-15/h7-8,10,12H,2-6,9,11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyPVGOAJGXWUDSLE-UHFFFAOYSA-N
XLogP2.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777
7-amino-N-(2-oxo-1,3-dihydroindol-5-yl)heptanamide
CID 119709201
4-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 119729786
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
2-amino-2-(4-methylphenyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 120667587
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
2-(aminomethyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119736222
N-[3-oxo-3-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propyl]furan-2-carboxamide
CID 47048455
6-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]hexanamide
CID 43704415
1-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296412
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide (CID 119736199) is 7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide is CC(NC(=O)CCCCCCN)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide?
The InChIKey is PVGOAJGXWUDSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(19-16(21)6-4-2-3-5-9-18)13-7-8-15-14(10-13)11-17(22)20-15/h7-8,10,12H,2-6,9,11,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide?
7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide has a molecular weight of 303.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide is sourced from PubChem (CID 119736199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).