2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide

C16H22N2O3 — CID 58147291

IUPAC2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide
SMILESCC(C)(C)C(=O)N1CCCc2cc(C(=O)NO)ccc2C1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)15(20)18-8-4-5-11-9-12(14(19)17-21)6-7-13(11)10-18/h6-7,9,21H,4-5,8,10H2,1-3H3,(H,17,19)
InChIKeyPZXXBUHLQGFGAZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.13
Rot. Bonds1

About 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide

2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide (PubChem CID 58147291) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide
PubChem CID58147291
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide
SMILESCC(C)(C)C(=O)N1CCCc2cc(C(=O)NO)ccc2C1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)15(20)18-8-4-5-11-9-12(14(19)17-21)6-7-13(11)10-18/h6-7,9,21H,4-5,8,10H2,1-3H3,(H,17,19)
InChIKeyPZXXBUHLQGFGAZ-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide (CID 58147291) is 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide is CC(C)(C)C(=O)N1CCCc2cc(C(=O)NO)ccc2C1.
What is the InChIKey of 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide?
The InChIKey is PZXXBUHLQGFGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)15(20)18-8-4-5-11-9-12(14(19)17-21)6-7-13(11)10-18/h6-7,9,21H,4-5,8,10H2,1-3H3,(H,17,19).
What are the key properties of 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide?
2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide is sourced from PubChem (CID 58147291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).