(2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide

C21H23N3O2 — CID 146163338

IUPAC(2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide
SMILESCN(C)CCNC(=O)/C=C1/c2ccccc2C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-23(2)13-12-22-20(25)14-18-15-8-4-5-10-17(15)21(26)24(3)19-11-7-6-9-16(18)19/h4-11,14H,12-13H2,1-3H3,(H,22,25)/b18-14-
InChIKeyCMSRFXWRGRAWSQ-JXAWBTAJSA-N
MW349.43 g/mol
LogP2.39
Rot. Bonds4

About (2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide

(2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide (PubChem CID 146163338) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide
PubChem CID146163338
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide
SMILESCN(C)CCNC(=O)/C=C1/c2ccccc2C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-23(2)13-12-22-20(25)14-18-15-8-4-5-10-17(15)21(26)24(3)19-11-7-6-9-16(18)19/h4-11,14H,12-13H2,1-3H3,(H,22,25)/b18-14-
InChIKeyCMSRFXWRGRAWSQ-JXAWBTAJSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide?
The IUPAC name of (2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide (CID 146163338) is (2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide?
The canonical SMILES for (2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide is CN(C)CCNC(=O)/C=C1/c2ccccc2C(=O)N(C)c2ccccc21.
What is the InChIKey of (2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide?
The InChIKey is CMSRFXWRGRAWSQ-JXAWBTAJSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-23(2)13-12-22-20(25)14-18-15-8-4-5-10-17(15)21(26)24(3)19-11-7-6-9-16(18)19/h4-11,14H,12-13H2,1-3H3,(H,22,25)/b18-14-.
What are the key properties of (2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide?
(2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[2-(dimethylamino)ethyl]-2-(5-methyl-6-oxobenzo[c][1]benzazepin-11-ylidene)acetamide is sourced from PubChem (CID 146163338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).