4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide

C20H24N2O4 — CID 156889603

IUPAC4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
SMILESCOc1cc2c(cc1OC)N(Cc1ccc(C(=O)NO)cc1)CCCC2
InChIInChI=1S/C20H24N2O4/c1-25-18-11-16-5-3-4-10-22(17(16)12-19(18)26-2)13-14-6-8-15(9-7-14)20(23)21-24/h6-9,11-12,24H,3-5,10,13H2,1-2H3,(H,21,23)
InChIKeyZPDJOGLRMYEITN-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.17
Rot. Bonds5

About 4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide

4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 156889603) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
PubChem CID156889603
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
SMILESCOc1cc2c(cc1OC)N(Cc1ccc(C(=O)NO)cc1)CCCC2
InChIInChI=1S/C20H24N2O4/c1-25-18-11-16-5-3-4-10-22(17(16)12-19(18)26-2)13-14-6-8-15(9-7-14)20(23)21-24/h6-9,11-12,24H,3-5,10,13H2,1-2H3,(H,21,23)
InChIKeyZPDJOGLRMYEITN-UHFFFAOYSA-N
XLogP3.17
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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-[(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889610
N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889599
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92685926
8-bromo-1-[[4-(1-methoxyethenyl)phenyl]methyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 166803449
(6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone
CID 167911977
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzoic acid
CID 168861218
methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
CID 46771711
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 43916498
N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide
CID 166803197
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43876256
N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889592
5-bromo-2,3-dihydro-1H-indene;methyl 4-[(5-bromo-2,3-dihydroindol-1-yl)methyl]benzoate;methyl 4-(bromomethyl)benzoate
CID 160973255

Frequently Asked Questions

What is the IUPAC name of 4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide (CID 156889603) is 4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide is COc1cc2c(cc1OC)N(Cc1ccc(C(=O)NO)cc1)CCCC2.
What is the InChIKey of 4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is ZPDJOGLRMYEITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-18-11-16-5-3-4-10-22(17(16)12-19(18)26-2)13-14-6-8-15(9-7-14)20(23)21-24/h6-9,11-12,24H,3-5,10,13H2,1-2H3,(H,21,23).
What are the key properties of 4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 356.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 156889603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).