7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide

C17H25N3O2 — CID 119769035

IUPAC7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H25N3O2/c18-11-6-2-1-3-9-16(21)19-13-17(22)20-12-10-14-7-4-5-8-15(14)20/h4-5,7-8H,1-3,6,9-13,18H2,(H,19,21)
InChIKeyAMDGLBVTIPJSCZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.60
Rot. Bonds8

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

7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide (PubChem CID 119769035) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide
PubChem CID119769035
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H25N3O2/c18-11-6-2-1-3-9-16(21)19-13-17(22)20-12-10-14-7-4-5-8-15(14)20/h4-5,7-8H,1-3,6,9-13,18H2,(H,19,21)
InChIKeyAMDGLBVTIPJSCZ-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.60
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

4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
CID 119315166
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
CID 119747288
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride
CID 119747287
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 120562063
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615340
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide
CID 110606116
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
7-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]heptanamide
CID 119761257
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110606137
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide (CID 119769035) is 7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide is NCCCCCCC(=O)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide?
The InChIKey is AMDGLBVTIPJSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-11-6-2-1-3-9-16(21)19-13-17(22)20-12-10-14-7-4-5-8-15(14)20/h4-5,7-8H,1-3,6,9-13,18H2,(H,19,21).
What are the key properties of 7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide?
7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide has a molecular weight of 303.41 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide is sourced from PubChem (CID 119769035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).