2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide

C13H18N2O2 — CID 114338463

IUPAC2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCCC(O)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-14-13(17)9-15-8-4-7-12(16)10-5-2-3-6-11(10)15/h2-3,5-6,12,16H,4,7-9H2,1H3,(H,14,17)
InChIKeyAXCFAUJJZPRXPP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.07
Rot. Bonds2

About 2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide

2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide (PubChem CID 114338463) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
PubChem CID114338463
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCCC(O)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-14-13(17)9-15-8-4-7-12(16)10-5-2-3-6-11(10)15/h2-3,5-6,12,16H,4,7-9H2,1H3,(H,14,17)
InChIKeyAXCFAUJJZPRXPP-UHFFFAOYSA-N
XLogP1.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide (CID 114338463) is 2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide is CNC(=O)CN1CCCC(O)c2ccccc21.
What is the InChIKey of 2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide?
The InChIKey is AXCFAUJJZPRXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-13(17)9-15-8-4-7-12(16)10-5-2-3-6-11(10)15/h2-3,5-6,12,16H,4,7-9H2,1H3,(H,14,17).
What are the key properties of 2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide?
2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide has a molecular weight of 234.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide is sourced from PubChem (CID 114338463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).