2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide

C19H21N3O3 — CID 122439160

IUPAC2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide
SMILESCN1CCN(C(=O)c2ccccc2)Cc2ccc(C(=O)NO)cc2C1
InChIInChI=1S/C19H21N3O3/c1-21-9-10-22(19(24)14-5-3-2-4-6-14)13-16-8-7-15(18(23)20-25)11-17(16)12-21/h2-8,11,25H,9-10,12-13H2,1H3,(H,20,23)
InChIKeyOGRKEWJRDGGDPW-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.89
Rot. Bonds2

About 2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide

2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide (PubChem CID 122439160) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide.

Molecular Properties

Compound Name2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide
PubChem CID122439160
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide
SMILESCN1CCN(C(=O)c2ccccc2)Cc2ccc(C(=O)NO)cc2C1
InChIInChI=1S/C19H21N3O3/c1-21-9-10-22(19(24)14-5-3-2-4-6-14)13-16-8-7-15(18(23)20-25)11-17(16)12-21/h2-8,11,25H,9-10,12-13H2,1H3,(H,20,23)
InChIKeyOGRKEWJRDGGDPW-UHFFFAOYSA-N
XLogP1.89
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.89
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

(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 28707219
5-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-hydroxythiophene-2-carboxamide
CID 58924532
4-benzoyl-N-hydroxy-2,3,5,6-tetrahydro-1,4-benzoxazocine-9-carboxamide
CID 122439239
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 72680168
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 168898310
N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 11516054
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 58147184

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide?
The IUPAC name of 2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide (CID 122439160) is 2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide.
What is the SMILES notation for 2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide?
The canonical SMILES for 2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide is CN1CCN(C(=O)c2ccccc2)Cc2ccc(C(=O)NO)cc2C1.
What is the InChIKey of 2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide?
The InChIKey is OGRKEWJRDGGDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-9-10-22(19(24)14-5-3-2-4-6-14)13-16-8-7-15(18(23)20-25)11-17(16)12-21/h2-8,11,25H,9-10,12-13H2,1H3,(H,20,23).
What are the key properties of 2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide?
2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide is sourced from PubChem (CID 122439160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).