N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide

C19H22N2O — CID 87441021

IUPACN-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide
SMILESCCC(=O)Nc1cccc2c1=CC1=C3CCCCC3CNC=21
InChIInChI=1S/C19H22N2O/c1-2-18(22)21-17-9-5-8-14-15(17)10-16-13-7-4-3-6-12(13)11-20-19(14)16/h5,8-10,12,20H,2-4,6-7,11H2,1H3,(H,21,22)
InChIKeyXIONCOIWWGACTL-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.03
Rot. Bonds2

About N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide

N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide (PubChem CID 87441021) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide.

Molecular Properties

Compound NameN-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide
PubChem CID87441021
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide
SMILESCCC(=O)Nc1cccc2c1=CC1=C3CCCCC3CNC=21
InChIInChI=1S/C19H22N2O/c1-2-18(22)21-17-9-5-8-14-15(17)10-16-13-7-4-3-6-12(13)11-20-19(14)16/h5,8-10,12,20H,2-4,6-7,11H2,1H3,(H,21,22)
InChIKeyXIONCOIWWGACTL-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide?
The IUPAC name of N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide (CID 87441021) is N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide.
What is the SMILES notation for N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide?
The canonical SMILES for N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide is CCC(=O)Nc1cccc2c1=CC1=C3CCCCC3CNC=21.
What is the InChIKey of N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide?
The InChIKey is XIONCOIWWGACTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-18(22)21-17-9-5-8-14-15(17)10-16-13-7-4-3-6-12(13)11-20-19(14)16/h5,8-10,12,20H,2-4,6-7,11H2,1H3,(H,21,22).
What are the key properties of N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide?
N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,4a,5,6-hexahydro-1H-indeno[1,2-c]isoquinolin-10-yl)propanamide is sourced from PubChem (CID 87441021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).