N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide

C20H22N2O2 — CID 11393103

IUPACN-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1c2ccccc2C=Cc2ccc(OC)cc21
InChIInChI=1S/C20H22N2O2/c1-3-20(23)21-12-13-22-18-7-5-4-6-15(18)8-9-16-10-11-17(24-2)14-19(16)22/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyDWVGJIJFGSESQJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.84
Rot. Bonds5

About N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide

N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide (PubChem CID 11393103) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide
PubChem CID11393103
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1c2ccccc2C=Cc2ccc(OC)cc21
InChIInChI=1S/C20H22N2O2/c1-3-20(23)21-12-13-22-18-7-5-4-6-15(18)8-9-16-10-11-17(24-2)14-19(16)22/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyDWVGJIJFGSESQJ-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide (CID 11393103) is N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide is CCC(=O)NCCN1c2ccccc2C=Cc2ccc(OC)cc21.
What is the InChIKey of N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide?
The InChIKey is DWVGJIJFGSESQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-20(23)21-12-13-22-18-7-5-4-6-15(18)8-9-16-10-11-17(24-2)14-19(16)22/h4-11,14H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide?
N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide is sourced from PubChem (CID 11393103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).