N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide

C19H22N2O3 — CID 156889596

IUPACN-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)CCN(Cc1ccc(C(=O)NO)cc1)CC2
InChIInChI=1S/C19H22N2O3/c1-24-18-7-6-15-8-10-21(11-9-17(15)12-18)13-14-2-4-16(5-3-14)19(22)20-23/h2-7,12,23H,8-11,13H2,1H3,(H,20,22)
InChIKeyIHZBMPRPXIKOMN-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.41
Rot. Bonds4

About N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide

N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide (PubChem CID 156889596) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide
PubChem CID156889596
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)CCN(Cc1ccc(C(=O)NO)cc1)CC2
InChIInChI=1S/C19H22N2O3/c1-24-18-7-6-15-8-10-21(11-9-17(15)12-18)13-14-2-4-16(5-3-14)19(22)20-23/h2-7,12,23H,8-11,13H2,1H3,(H,20,22)
InChIKeyIHZBMPRPXIKOMN-UHFFFAOYSA-N
XLogP2.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
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

CID 720058
CID 720058
CID 45269321
CID 45269321
CID 68504537
CID 68504537
CID 137363359
CID 137363359
CID 897223
CID 897223
CID 25218543
CID 25218543
CID 129520967
CID 129520967
CID 5220350
CID 5220350
CID 9840150
CID 9840150
CID 13672349
CID 13672349
CID 22175534
CID 22175534
CID 127034647
CID 127034647

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide (CID 156889596) is N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide is COc1ccc2c(c1)CCN(Cc1ccc(C(=O)NO)cc1)CC2.
What is the InChIKey of N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide?
The InChIKey is IHZBMPRPXIKOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-18-7-6-15-8-10-21(11-9-17(15)12-18)13-14-2-4-16(5-3-14)19(22)20-23/h2-7,12,23H,8-11,13H2,1H3,(H,20,22).
What are the key properties of N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide?
N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]benzamide is sourced from PubChem (CID 156889596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).