5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide

C15H23N3O2 — CID 54479909

IUPAC5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide
SMILESCC(N)Cc1cc2c(c(C(=O)NCCCO)c1)NCC2
InChIInChI=1S/C15H23N3O2/c1-10(16)7-11-8-12-3-5-17-14(12)13(9-11)15(20)18-4-2-6-19/h8-10,17,19H,2-7,16H2,1H3,(H,18,20)
InChIKeyXOGWJUDZHZSPLF-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.66
Rot. Bonds6

About 5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide

5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide (PubChem CID 54479909) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide
PubChem CID54479909
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide
SMILESCC(N)Cc1cc2c(c(C(=O)NCCCO)c1)NCC2
InChIInChI=1S/C15H23N3O2/c1-10(16)7-11-8-12-3-5-17-14(12)13(9-11)15(20)18-4-2-6-19/h8-10,17,19H,2-7,16H2,1H3,(H,18,20)
InChIKeyXOGWJUDZHZSPLF-UHFFFAOYSA-N
XLogP0.66
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Oxidanylidene-N-Piperidin-4-Yl-1,3-Dihydroindole-5-Carboxamide
CID 83551529
Benzamide, 2-((3-hydroxypropyl)amino)-
CID 3086278
Indoline-7-carboxaldehyde
CID 1481333
5-Hex-1-ynyl-2-(2-hydroxyethylamino)benzamide
CID 166626987
5-Hex-1-ynyl-2-(3-hydroxypropylamino)benzamide
CID 166629283
N-(4-(3-aminopropanamido)cyclohexyl)-2-oxoindoline-5-carboxamide
CID 132227602
N-((1r,4r)-4-((R)-3-aminobutanamido)cyclohexyl)-2-oxoindoline-5-carboxamide
CID 132227777
N-((1r,4r)-4-(3-aminobutanamido)cyclohexyl)-2-oxoindoline-5-carboxamide
CID 132227996
N-[(1-Propanoyl-2,3-dihydro-1H-indol-5-YL)methyl]benzamide
CID 53093612
N-[(1-Benzoyl-2,3-dihydro-1H-indol-5-YL)methyl]propanamide
CID 53093722
5-methyl-2-(methylamino)-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]benzamide
CID 56746533
[4-(2-Hydroxyethylamino)-3-methylphenyl]-pyrrolidin-1-ylmethanone
CID 72105055

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide?
The IUPAC name of 5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide (CID 54479909) is 5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide.
What is the SMILES notation for 5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide?
The canonical SMILES for 5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide is CC(N)Cc1cc2c(c(C(=O)NCCCO)c1)NCC2.
What is the InChIKey of 5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide?
The InChIKey is XOGWJUDZHZSPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(16)7-11-8-12-3-5-17-14(12)13(9-11)15(20)18-4-2-6-19/h8-10,17,19H,2-7,16H2,1H3,(H,18,20).
What are the key properties of 5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide?
5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-(3-hydroxypropyl)-2,3-dihydro-1H-indole-7-carboxamide is sourced from PubChem (CID 54479909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).