1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone

C21H22N2O2 — CID 21442799

IUPAC1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CN2c3ccccc3C=Cc3ccccc32)C1
InChIInChI=1S/C21H22N2O2/c1-16(24)22-12-13-25-19(14-22)15-23-20-8-4-2-6-17(20)10-11-18-7-3-5-9-21(18)23/h2-11,19H,12-15H2,1H3
InChIKeyWQMWGXBJFYSUJA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.56
Rot. Bonds2

About 1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone

1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone (PubChem CID 21442799) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone
PubChem CID21442799
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CN2c3ccccc3C=Cc3ccccc32)C1
InChIInChI=1S/C21H22N2O2/c1-16(24)22-12-13-25-19(14-22)15-23-20-8-4-2-6-17(20)10-11-18-7-3-5-9-21(18)23/h2-11,19H,12-15H2,1H3
InChIKeyWQMWGXBJFYSUJA-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
1-[2-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 89469195
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide
CID 125174342
1-[(2S)-2-butylmorpholin-4-yl]ethanone
CID 155354328
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
2-ethylmorpholine-4-carboxylic acid
CID 121455686
1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 97195476
N-[(4-acetylmorpholin-2-yl)methyl]-N-phenylpropanamide;1-[2-(anilinomethyl)morpholin-4-yl]ethanone;propanoyl chloride
CID 90979805
1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
CID 97144650

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone (CID 21442799) is 1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone is CC(=O)N1CCOC(CN2c3ccccc3C=Cc3ccccc32)C1.
What is the InChIKey of 1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone?
The InChIKey is WQMWGXBJFYSUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16(24)22-12-13-25-19(14-22)15-23-20-8-4-2-6-17(20)10-11-18-7-3-5-9-21(18)23/h2-11,19H,12-15H2,1H3.
What are the key properties of 1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone?
1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzo[b][1]benzazepin-11-ylmethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 21442799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).