N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide

C20H23N3O2 — CID 776887

IUPACN-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2
InChIInChI=1S/C20H23N3O2/c1-14(24)21-17-11-10-16-9-8-15-6-4-5-7-18(15)23(19(16)12-17)20(25)13-22(2)3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,24)
InChIKeyWGEJFSJRXZFCKW-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.97
Rot. Bonds3

About N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide

N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide (PubChem CID 776887) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide.

Molecular Properties

Compound NameN-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide
PubChem CID776887
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2
InChIInChI=1S/C20H23N3O2/c1-14(24)21-17-11-10-16-9-8-15-6-4-5-7-18(15)23(19(16)12-17)20(25)13-22(2)3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,24)
InChIKeyWGEJFSJRXZFCKW-UHFFFAOYSA-N
XLogP2.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide?
The IUPAC name of N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide (CID 776887) is N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide.
What is the SMILES notation for N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide?
The canonical SMILES for N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide is CC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2.
What is the InChIKey of N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide?
The InChIKey is WGEJFSJRXZFCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(24)21-17-11-10-16-9-8-15-6-4-5-7-18(15)23(19(16)12-17)20(25)13-22(2)3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,24).
What are the key properties of N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide?
N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]acetamide is sourced from PubChem (CID 776887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).