6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide

C15H19N3O4 — CID 16660022

IUPAC6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCC1NC(=O)c2ccccc2NC1=O)NO
InChIInChI=1S/C15H19N3O4/c19-13(18-22)9-3-1-2-8-12-15(21)16-11-7-5-4-6-10(11)14(20)17-12/h4-7,12,22H,1-3,8-9H2,(H,16,21)(H,17,20)(H,18,19)
InChIKeyQQQCXIWILKRLBK-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.19
Rot. Bonds6

About 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide

6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide (PubChem CID 16660022) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide
PubChem CID16660022
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCC1NC(=O)c2ccccc2NC1=O)NO
InChIInChI=1S/C15H19N3O4/c19-13(18-22)9-3-1-2-8-12-15(21)16-11-7-5-4-6-10(11)14(20)17-12/h4-7,12,22H,1-3,8-9H2,(H,16,21)(H,17,20)(H,18,19)
InChIKeyQQQCXIWILKRLBK-UHFFFAOYSA-N
XLogP1.19
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.19
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide?
The IUPAC name of 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide (CID 16660022) is 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide?
The canonical SMILES for 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide is O=C(CCCCCC1NC(=O)c2ccccc2NC1=O)NO.
What is the InChIKey of 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide?
The InChIKey is QQQCXIWILKRLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-13(18-22)9-3-1-2-8-12-15(21)16-11-7-5-4-6-10(11)14(20)17-12/h4-7,12,22H,1-3,8-9H2,(H,16,21)(H,17,20)(H,18,19).
What are the key properties of 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide?
6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide has a molecular weight of 305.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 16660022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).