N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide

C22H24N2O — CID 10664333

IUPACN-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c2n(c3ccccc13)CCCc1ccccc1-2
InChIInChI=1S/C22H24N2O/c1-2-21(25)23-14-13-19-18-11-5-6-12-20(18)24-15-7-9-16-8-3-4-10-17(16)22(19)24/h3-6,8,10-12H,2,7,9,13-15H2,1H3,(H,23,25)
InChIKeySZPRDSDTKCPKRF-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.32
Rot. Bonds4

About N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide

N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide (PubChem CID 10664333) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide
PubChem CID10664333
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c2n(c3ccccc13)CCCc1ccccc1-2
InChIInChI=1S/C22H24N2O/c1-2-21(25)23-14-13-19-18-11-5-6-12-20(18)24-15-7-9-16-8-3-4-10-17(16)22(19)24/h3-6,8,10-12H,2,7,9,13-15H2,1H3,(H,23,25)
InChIKeySZPRDSDTKCPKRF-UHFFFAOYSA-N
XLogP4.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide?
The IUPAC name of N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide (CID 10664333) is N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide is CCC(=O)NCCc1c2n(c3ccccc13)CCCc1ccccc1-2.
What is the InChIKey of N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide?
The InChIKey is SZPRDSDTKCPKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-21(25)23-14-13-19-18-11-5-6-12-20(18)24-15-7-9-16-8-3-4-10-17(16)22(19)24/h3-6,8,10-12H,2,7,9,13-15H2,1H3,(H,23,25).
What are the key properties of N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide?
N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide has a molecular weight of 332.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]propanamide is sourced from PubChem (CID 10664333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).