N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride

C24H37ClN4O2 — CID 163329639

IUPACN-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride
SMILESCCC1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCCN(C)C.Cl
InChIInChI=1S/C24H36N4O2.ClH/c1-6-19-23-18(14-24(2,3)15-21(23)29)26-17-10-7-8-11-20(17)28(19)16-22(30)25-12-9-13-27(4)5;/h7-8,10-11,19,26H,6,9,12-16H2,1-5H3,(H,25,30);1H
InChIKeyPRTICOOJULGZET-UHFFFAOYSA-N
MW449.04 g/mol
LogP3.83
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride

N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride (PubChem CID 163329639) has the molecular formula C24H37ClN4O2 and a molecular weight of 449.04 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride
PubChem CID163329639
Molecular FormulaC24H37ClN4O2
Molecular Weight449.04 g/mol
Exact Mass448.26
IUPAC NameN-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride
SMILESCCC1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCCN(C)C.Cl
InChIInChI=1S/C24H36N4O2.ClH/c1-6-19-23-18(14-24(2,3)15-21(23)29)26-17-10-7-8-11-20(17)28(19)16-22(30)25-12-9-13-27(4)5;/h7-8,10-11,19,26H,6,9,12-16H2,1-5H3,(H,25,30);1H
InChIKeyPRTICOOJULGZET-UHFFFAOYSA-N
XLogP3.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.04
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;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 N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride (CID 163329639) is N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride is CCC1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCCN(C)C.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride?
The InChIKey is PRTICOOJULGZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2.ClH/c1-6-19-23-18(14-24(2,3)15-21(23)29)26-17-10-7-8-11-20(17)28(19)16-22(30)25-12-9-13-27(4)5;/h7-8,10-11,19,26H,6,9,12-16H2,1-5H3,(H,25,30);1H.
What are the key properties of N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride?
N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride has a molecular weight of 449.04 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(6-ethyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 163329639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).