5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide

C21H37N3O2Si — CID 77386307

IUPAC5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide
SMILESCC(N)Cc1cc2c(c(C(N)=O)c1)N(CCCO[Si](C)(C)C(C)(C)C)CC2
InChIInChI=1S/C21H37N3O2Si/c1-15(22)12-16-13-17-8-10-24(19(17)18(14-16)20(23)25)9-7-11-26-27(5,6)21(2,3)4/h13-15H,7-12,22H2,1-6H3,(H2,23,25)
InChIKeyXUNQHDOEHFDLNY-UHFFFAOYSA-N
MW391.63 g/mol
LogP3.45
Rot. Bonds8

About 5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide

5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide (PubChem CID 77386307) has the molecular formula C21H37N3O2Si and a molecular weight of 391.63 g/mol. Its IUPAC name is 5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide.

Molecular Properties

Compound Name5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide
PubChem CID77386307
Molecular FormulaC21H37N3O2Si
Molecular Weight391.63 g/mol
Exact Mass391.27
IUPAC Name5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide
SMILESCC(N)Cc1cc2c(c(C(N)=O)c1)N(CCCO[Si](C)(C)C(C)(C)C)CC2
InChIInChI=1S/C21H37N3O2Si/c1-15(22)12-16-13-17-8-10-24(19(17)18(14-16)20(23)25)9-7-11-26-27(5,6)21(2,3)4/h13-15H,7-12,22H2,1-6H3,(H2,23,25)
InChIKeyXUNQHDOEHFDLNY-UHFFFAOYSA-N
XLogP3.45
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.63
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Indoline-7-carboxamide
CID 12018256
7-Fluoro-5-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 64230602
7-Fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072216
2-(5-Methyl-2,3-dihydroindol-1-yl)benzamide
CID 14097627
N-Methyl-2,3-dihydro-1H-indole-7-carboxamide
CID 17956696
N-(2-formyl-4-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}phenyl)-2,2-dimethylpropanamide
CID 23635138
1-(3-Hydroxypropyl)-5-(2-azidopropyl)indoline-7-carboxamide
CID 53707692
5-(2-Azidopropyl)indoline-7-carboxamide
CID 54250050
5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide
CID 54479909
Methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate
CID 56645374
Methyl 3-[7-carbamoyl-5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propanoate
CID 56645375
methyl 3-[7-carbamoyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]-2,3-dihydroindol-1-yl]propanoate
CID 56645782

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide?
The IUPAC name of 5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide (CID 77386307) is 5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide.
What is the SMILES notation for 5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide?
The canonical SMILES for 5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide is CC(N)Cc1cc2c(c(C(N)=O)c1)N(CCCO[Si](C)(C)C(C)(C)C)CC2.
What is the InChIKey of 5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide?
The InChIKey is XUNQHDOEHFDLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2Si/c1-15(22)12-16-13-17-8-10-24(19(17)18(14-16)20(23)25)9-7-11-26-27(5,6)21(2,3)4/h13-15H,7-12,22H2,1-6H3,(H2,23,25).
What are the key properties of 5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide?
5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide has a molecular weight of 391.63 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 77386307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).