2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide

C14H19N3O2 — CID 22711549

IUPAC2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide
SMILESCCCN1CCc2cc(C(C(N)=O)C(N)=O)ccc21
InChIInChI=1S/C14H19N3O2/c1-2-6-17-7-5-9-8-10(3-4-11(9)17)12(13(15)18)14(16)19/h3-4,8,12H,2,5-7H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyZOJBIIRYAROVCE-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.51
Rot. Bonds5

About 2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide

2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide (PubChem CID 22711549) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide.

Molecular Properties

Compound Name2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide
PubChem CID22711549
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide
SMILESCCCN1CCc2cc(C(C(N)=O)C(N)=O)ccc21
InChIInChI=1S/C14H19N3O2/c1-2-6-17-7-5-9-8-10(3-4-11(9)17)12(13(15)18)14(16)19/h3-4,8,12H,2,5-7H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyZOJBIIRYAROVCE-UHFFFAOYSA-N
XLogP0.51
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid
CID 66512358
methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate
CID 170884527
3-(1-ethyl-2,3-dihydroindol-5-yl)butanoic acid
CID 115114845
5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol
CID 102661847
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid
CID 115106001
2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide
CID 62095835
3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 102661646
2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661865
N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661751
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871

Frequently Asked Questions

What is the IUPAC name of 2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide?
The IUPAC name of 2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide (CID 22711549) is 2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide.
What is the SMILES notation for 2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide?
The canonical SMILES for 2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide is CCCN1CCc2cc(C(C(N)=O)C(N)=O)ccc21.
What is the InChIKey of 2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide?
The InChIKey is ZOJBIIRYAROVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-6-17-7-5-9-8-10(3-4-11(9)17)12(13(15)18)14(16)19/h3-4,8,12H,2,5-7H2,1H3,(H2,15,18)(H2,16,19).
What are the key properties of 2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide?
2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide has a molecular weight of 261.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide is sourced from PubChem (CID 22711549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).