3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide

C20H30N4O — CID 133108274

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide
SMILESO=C(CCC1NNC2CCCCC21)NCCN1CCc2ccccc21
InChIInChI=1S/C20H30N4O/c25-20(10-9-18-16-6-2-3-7-17(16)22-23-18)21-12-14-24-13-11-15-5-1-4-8-19(15)24/h1,4-5,8,16-18,22-23H,2-3,6-7,9-14H2,(H,21,25)
InChIKeyAAYTXBNJPFUXKK-UHFFFAOYSA-N
MW342.49 g/mol
LogP1.98
Rot. Bonds6

About 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide

3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide (PubChem CID 133108274) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide
PubChem CID133108274
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide
SMILESO=C(CCC1NNC2CCCCC21)NCCN1CCc2ccccc21
InChIInChI=1S/C20H30N4O/c25-20(10-9-18-16-6-2-3-7-17(16)22-23-18)21-12-14-24-13-11-15-5-1-4-8-19(15)24/h1,4-5,8,16-18,22-23H,2-3,6-7,9-14H2,(H,21,25)
InChIKeyAAYTXBNJPFUXKK-UHFFFAOYSA-N
XLogP1.98
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
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(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-2-carboxamide
CID 103813592
3-(3,4-dichlorophenyl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide
CID 110301281
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CID 55024431
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide
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cis-(1S,3R)-3-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 133134060
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide (CID 133108274) is 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide is O=C(CCC1NNC2CCCCC21)NCCN1CCc2ccccc21.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide?
The InChIKey is AAYTXBNJPFUXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-20(10-9-18-16-6-2-3-7-17(16)22-23-18)21-12-14-24-13-11-15-5-1-4-8-19(15)24/h1,4-5,8,16-18,22-23H,2-3,6-7,9-14H2,(H,21,25).
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide?
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide has a molecular weight of 342.49 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide is sourced from PubChem (CID 133108274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).