8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide

C19H21N3O4 — CID 122437745

IUPAC8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide
SMILESCN(C)C(=O)N1Cc2ccc(C(=O)NO)cc2OCC1c1ccccc1
InChIInChI=1S/C19H21N3O4/c1-21(2)19(24)22-11-15-9-8-14(18(23)20-25)10-17(15)26-12-16(22)13-6-4-3-5-7-13/h3-10,16,25H,11-12H2,1-2H3,(H,20,23)
InChIKeyRROCSRKTFZMBSK-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.42
Rot. Bonds2

About 8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide

8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide (PubChem CID 122437745) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide.

Molecular Properties

Compound Name8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide
PubChem CID122437745
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide
SMILESCN(C)C(=O)N1Cc2ccc(C(=O)NO)cc2OCC1c1ccccc1
InChIInChI=1S/C19H21N3O4/c1-21(2)19(24)22-11-15-9-8-14(18(23)20-25)10-17(15)26-12-16(22)13-6-4-3-5-7-13/h3-10,16,25H,11-12H2,1-2H3,(H,20,23)
InChIKeyRROCSRKTFZMBSK-UHFFFAOYSA-N
XLogP2.42
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide?
The IUPAC name of 8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide (CID 122437745) is 8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide.
What is the SMILES notation for 8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide?
The canonical SMILES for 8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide is CN(C)C(=O)N1Cc2ccc(C(=O)NO)cc2OCC1c1ccccc1.
What is the InChIKey of 8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide?
The InChIKey is RROCSRKTFZMBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-21(2)19(24)22-11-15-9-8-14(18(23)20-25)10-17(15)26-12-16(22)13-6-4-3-5-7-13/h3-10,16,25H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide?
8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-hydroxy-4-N,4-N-dimethyl-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4,8-dicarboxamide is sourced from PubChem (CID 122437745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).