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

C16H24N2O2 — CID 104558270

IUPACN,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1CCCC(O)c2ccccc21
InChIInChI=1S/C16H24N2O2/c1-3-17(4-2)16(20)12-18-11-7-10-15(19)13-8-5-6-9-14(13)18/h5-6,8-9,15,19H,3-4,7,10-12H2,1-2H3
InChIKeyULJJWJZMHYLLOJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds4

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

N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide (PubChem CID 104558270) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
PubChem CID104558270
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1CCCC(O)c2ccccc21
InChIInChI=1S/C16H24N2O2/c1-3-17(4-2)16(20)12-18-11-7-10-15(19)13-8-5-6-9-14(13)18/h5-6,8-9,15,19H,3-4,7,10-12H2,1-2H3
InChIKeyULJJWJZMHYLLOJ-UHFFFAOYSA-N
XLogP2.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
CID 114338463
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104558248
1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338433
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
CID 114337628
N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
CID 114336281
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-1-one
CID 104537335
1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338475
1-(3-methoxy-3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 103024198
1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338318
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338481
N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889592

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide (CID 104558270) is N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide is CCN(CC)C(=O)CN1CCCC(O)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide?
The InChIKey is ULJJWJZMHYLLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-17(4-2)16(20)12-18-11-7-10-15(19)13-8-5-6-9-14(13)18/h5-6,8-9,15,19H,3-4,7,10-12H2,1-2H3.
What are the key properties of N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide?
N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide is sourced from PubChem (CID 104558270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).