(5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide

C20H25N3O — CID 40526895

IUPAC(5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
SMILESCN(C)CCCN1c2ccccc2C[C@H](C(N)=O)c2ccccc21
InChIInChI=1S/C20H25N3O/c1-22(2)12-7-13-23-18-10-5-3-8-15(18)14-17(20(21)24)16-9-4-6-11-19(16)23/h3-6,8-11,17H,7,12-14H2,1-2H3,(H2,21,24)/t17-/m0/s1
InChIKeyCFSATXOJZPIVKJ-KRWDZBQOSA-N
MW323.44 g/mol
LogP2.90
Rot. Bonds5

About (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide

(5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide (PubChem CID 40526895) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide.

Molecular Properties

Compound Name(5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
PubChem CID40526895
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
SMILESCN(C)CCCN1c2ccccc2C[C@H](C(N)=O)c2ccccc21
InChIInChI=1S/C20H25N3O/c1-22(2)12-7-13-23-18-10-5-3-8-15(18)14-17(20(21)24)16-9-4-6-11-19(16)23/h3-6,8-11,17H,7,12-14H2,1-2H3,(H2,21,24)/t17-/m0/s1
InChIKeyCFSATXOJZPIVKJ-KRWDZBQOSA-N
XLogP2.90
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(dimethylamino)propyl (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxylate
CID 40527436
[11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-yl]-pyrrolidin-1-ylmethanone
CID 4568043
(5S)-11-[3-(dimethylamino)propyl]-N-(2,3-dimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 40527864
ethyl 4-[11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-yl]butanoate
CID 54332767
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrate;hydrochloride
CID 90158861
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydron;chloride
CID 657207
(E)-but-2-enedioic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
CID 67276536
11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one
CID 28424
2-carboxyphenolate;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
CID 86624981
1-amino-3-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]propan-2-ol;oxalic acid;hydrate
CID 110169015
2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide
CID 68898482
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid;hydrochloride
CID 67276273

Frequently Asked Questions

What is the IUPAC name of (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
The IUPAC name of (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide (CID 40526895) is (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide.
What is the SMILES notation for (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
The canonical SMILES for (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide is CN(C)CCCN1c2ccccc2C[C@H](C(N)=O)c2ccccc21.
What is the InChIKey of (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
The InChIKey is CFSATXOJZPIVKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(2)12-7-13-23-18-10-5-3-8-15(18)14-17(20(21)24)16-9-4-6-11-19(16)23/h3-6,8-11,17H,7,12-14H2,1-2H3,(H2,21,24)/t17-/m0/s1.
What are the key properties of (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide?
(5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide is sourced from PubChem (CID 40526895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).