(3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide

C13H15N3O4 — CID 16660183

IUPAC(3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide
SMILESCC(C)[C@H]1NC(=O)c2ccc(C(=O)NO)cc2NC1=O
InChIInChI=1S/C13H15N3O4/c1-6(2)10-13(19)14-9-5-7(11(17)16-20)3-4-8(9)12(18)15-10/h3-6,10,20H,1-2H3,(H,14,19)(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyLCXGLBPKSGMDDK-SNVBAGLBSA-N
MW277.28 g/mol
LogP0.51
Rot. Bonds2

About (3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide

(3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide (PubChem CID 16660183) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is (3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide
PubChem CID16660183
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name(3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide
SMILESCC(C)[C@H]1NC(=O)c2ccc(C(=O)NO)cc2NC1=O
InChIInChI=1S/C13H15N3O4/c1-6(2)10-13(19)14-9-5-7(11(17)16-20)3-4-8(9)12(18)15-10/h3-6,10,20H,1-2H3,(H,14,19)(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyLCXGLBPKSGMDDK-SNVBAGLBSA-N
XLogP0.51
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.51
H-Bond Donors ≤ 54
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'}

Analyze (3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 73301125
CID 58916434
CID 58916434
7-(morpholine-4-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 22427117
(2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 16660851
(2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide
CID 16661012
7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 22427120
(2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 16660855
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid
CID 23155448
2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 22427177
6-oxo-N-propan-2-yl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 4289211
6-(2-aminopropanoyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339518
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide?
The IUPAC name of (3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide (CID 16660183) is (3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide.
What is the SMILES notation for (3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide?
The canonical SMILES for (3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide is CC(C)[C@H]1NC(=O)c2ccc(C(=O)NO)cc2NC1=O.
What is the InChIKey of (3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide?
The InChIKey is LCXGLBPKSGMDDK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-6(2)10-13(19)14-9-5-7(11(17)16-20)3-4-8(9)12(18)15-10/h3-6,10,20H,1-2H3,(H,14,19)(H,15,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide?
(3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide is sourced from PubChem (CID 16660183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).