ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride

C20H24ClN3O3 — CID 24746863

IUPACethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)CNC)c1ccccc1CC2.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-3-26-20(25)22-16-11-10-15-9-8-14-6-4-5-7-17(14)23(18(15)12-16)19(24)13-21-2;/h4-7,10-12,21H,3,8-9,13H2,1-2H3,(H,22,25);1H
InChIKeyWFOKLCDNNRCNLB-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.66
Rot. Bonds4

About ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride

ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride (PubChem CID 24746863) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
PubChem CID24746863
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Nameethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)CNC)c1ccccc1CC2.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-3-26-20(25)22-16-11-10-15-9-8-14-6-4-5-7-17(14)23(18(15)12-16)19(24)13-21-2;/h4-7,10-12,21H,3,8-9,13H2,1-2H3,(H,22,25);1H
InChIKeyWFOKLCDNNRCNLB-UHFFFAOYSA-N
XLogP3.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride (CID 24746863) is ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride is CCOC(=O)Nc1ccc2c(c1)N(C(=O)CNC)c1ccccc1CC2.Cl.
What is the InChIKey of ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride?
The InChIKey is WFOKLCDNNRCNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.ClH/c1-3-26-20(25)22-16-11-10-15-9-8-14-6-4-5-7-17(14)23(18(15)12-16)19(24)13-21-2;/h4-7,10-12,21H,3,8-9,13H2,1-2H3,(H,22,25);1H.
What are the key properties of ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride?
ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride has a molecular weight of 389.88 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 24746863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).