6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide

C21H23N3O4 — CID 16659698

IUPAC6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide
SMILESO=C(CCCCCN1C(=O)[C@@H](c2ccccc2)NC(=O)c2ccccc21)NO
InChIInChI=1S/C21H23N3O4/c25-18(23-28)13-5-2-8-14-24-17-12-7-6-11-16(17)20(26)22-19(21(24)27)15-9-3-1-4-10-15/h1,3-4,6-7,9-12,19,28H,2,5,8,13-14H2,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyDZNBAGSWWYXHKP-LJQANCHMSA-N
MW381.43 g/mol
LogP2.57
Rot. Bonds7

About 6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide

6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide (PubChem CID 16659698) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide
PubChem CID16659698
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide
SMILESO=C(CCCCCN1C(=O)[C@@H](c2ccccc2)NC(=O)c2ccccc21)NO
InChIInChI=1S/C21H23N3O4/c25-18(23-28)13-5-2-8-14-24-17-12-7-6-11-16(17)20(26)22-19(21(24)27)15-9-3-1-4-10-15/h1,3-4,6-7,9-12,19,28H,2,5,8,13-14H2,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyDZNBAGSWWYXHKP-LJQANCHMSA-N
XLogP2.57
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide with MolForge

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Related Compounds

6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]hexanoic acid
CID 69495554
methyl 6-(2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl)hexanoate
CID 69495425
6-[(3R)-3-(2,2-dimethylpropyl)-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide
CID 16659702
6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide
CID 16660022
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
CID 5186
6-(3-chloro-6-oxobenzo[b][1,4]benzothiazepin-5-yl)-N-hydroxyhexanamide
CID 11849156
1-(4-methoxybutyl)-3-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 104650468
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetohydrazide
CID 84571871
3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910927
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxypropanamide
CID 87094358
N-(2-aminophenyl)-6-(2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)hexanamide;ethane;2-methylpropane
CID 143414736
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide (CID 16659698) is 6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide is O=C(CCCCCN1C(=O)[C@@H](c2ccccc2)NC(=O)c2ccccc21)NO.
What is the InChIKey of 6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide?
The InChIKey is DZNBAGSWWYXHKP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-18(23-28)13-5-2-8-14-24-17-12-7-6-11-16(17)20(26)22-19(21(24)27)15-9-3-1-4-10-15/h1,3-4,6-7,9-12,19,28H,2,5,8,13-14H2,(H,22,26)(H,23,25)/t19-/m1/s1.
What are the key properties of 6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide?
6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide has a molecular weight of 381.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 16659698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).