N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide

C19H22N2O3 — CID 156889594

IUPACN-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
SMILESCOc1cccc2c1CCCCN2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H22N2O3/c1-24-18-7-4-6-17-16(18)5-2-3-12-21(17)13-14-8-10-15(11-9-14)19(22)20-23/h4,6-11,23H,2-3,5,12-13H2,1H3,(H,20,22)
InChIKeyKGPQSCIMKSPGDN-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.16
Rot. Bonds4

About N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide

N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide (PubChem CID 156889594) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
PubChem CID156889594
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
SMILESCOc1cccc2c1CCCCN2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H22N2O3/c1-24-18-7-4-6-17-16(18)5-2-3-12-21(17)13-14-8-10-15(11-9-14)19(22)20-23/h4,6-11,23H,2-3,5,12-13H2,1H3,(H,20,22)
InChIKeyKGPQSCIMKSPGDN-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide (CID 156889594) is N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide is COc1cccc2c1CCCCN2Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
The InChIKey is KGPQSCIMKSPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-18-7-4-6-17-16(18)5-2-3-12-21(17)13-14-8-10-15(11-9-14)19(22)20-23/h4,6-11,23H,2-3,5,12-13H2,1H3,(H,20,22).
What are the key properties of N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide is sourced from PubChem (CID 156889594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).