N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide

C22H28N2O2 — CID 166803197

IUPACN-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide
SMILESCCCC1CCCCN(Cc2ccc(C(=O)NO)cc2)c2ccccc21
InChIInChI=1S/C22H28N2O2/c1-2-7-18-8-5-6-15-24(21-10-4-3-9-20(18)21)16-17-11-13-19(14-12-17)22(25)23-26/h3-4,9-14,18,26H,2,5-8,15-16H2,1H3,(H,23,25)
InChIKeyYPZPBPCXZZEBDF-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.88
Rot. Bonds5

About N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide

N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide (PubChem CID 166803197) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide
PubChem CID166803197
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide
SMILESCCCC1CCCCN(Cc2ccc(C(=O)NO)cc2)c2ccccc21
InChIInChI=1S/C22H28N2O2/c1-2-7-18-8-5-6-15-24(21-10-4-3-9-20(18)21)16-17-11-13-19(14-12-17)22(25)23-26/h3-4,9-14,18,26H,2,5-8,15-16H2,1H3,(H,23,25)
InChIKeyYPZPBPCXZZEBDF-UHFFFAOYSA-N
XLogP4.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889592
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 156889603
N-hydroxy-4-[(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889610
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 30400404
1-(2-cyclohexylethyl)-4-propylpiperazine;ethane;N-hydroxybenzamide
CID 91207184
1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335986
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethylhexyl)benzamide
CID 133229571
1,4-dibenzyl-3,4-dihydro-2H-quinoline
CID 3249530

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide (CID 166803197) is N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide is CCCC1CCCCN(Cc2ccc(C(=O)NO)cc2)c2ccccc21.
What is the InChIKey of N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide?
The InChIKey is YPZPBPCXZZEBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-7-18-8-5-6-15-24(21-10-4-3-9-20(18)21)16-17-11-13-19(14-12-17)22(25)23-26/h3-4,9-14,18,26H,2,5-8,15-16H2,1H3,(H,23,25).
What are the key properties of N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide?
N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide is sourced from PubChem (CID 166803197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).