N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide

C18H20N2O3 — CID 156889592

IUPACN-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(CN2CCCC(O)c3ccccc32)cc1
InChIInChI=1S/C18H20N2O3/c21-17-6-3-11-20(16-5-2-1-4-15(16)17)12-13-7-9-14(10-8-13)18(22)19-23/h1-2,4-5,7-10,17,21,23H,3,6,11-12H2,(H,19,22)
InChIKeyQBYLKPOGRQNAPZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.64
Rot. Bonds3

About N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide

N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide (PubChem CID 156889592) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
PubChem CID156889592
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(CN2CCCC(O)c3ccccc32)cc1
InChIInChI=1S/C18H20N2O3/c21-17-6-3-11-20(16-5-2-1-4-15(16)17)12-13-7-9-14(10-8-13)18(22)19-23/h1-2,4-5,7-10,17,21,23H,3,6,11-12H2,(H,19,22)
InChIKeyQBYLKPOGRQNAPZ-UHFFFAOYSA-N
XLogP2.64
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide
CID 166803197
1-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104558354
1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
CID 114338463
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
CID 104558270
1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338433
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 154753303
1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104558248
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide (CID 156889592) is N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide is O=C(NO)c1ccc(CN2CCCC(O)c3ccccc32)cc1.
What is the InChIKey of N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
The InChIKey is QBYLKPOGRQNAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17-6-3-11-20(16-5-2-1-4-15(16)17)12-13-7-9-14(10-8-13)18(22)19-23/h1-2,4-5,7-10,17,21,23H,3,6,11-12H2,(H,19,22).
What are the key properties of N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide is sourced from PubChem (CID 156889592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).