2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide

C16H25N3O3 — CID 58465839

IUPAC2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCC1(C)CN(C(=O)C(C)(C)C)Cc2cc(C(=O)NO)cn2C1
InChIInChI=1S/C16H25N3O3/c1-15(2,3)14(21)19-8-12-6-11(13(20)17-22)7-18(12)9-16(4,5)10-19/h6-7,22H,8-10H2,1-5H3,(H,17,20)
InChIKeyGATGTBQAKOBBIJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.02
Rot. Bonds1

About 2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide

2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide (PubChem CID 58465839) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide
PubChem CID58465839
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCC1(C)CN(C(=O)C(C)(C)C)Cc2cc(C(=O)NO)cn2C1
InChIInChI=1S/C16H25N3O3/c1-15(2,3)14(21)19-8-12-6-11(13(20)17-22)7-18(12)9-16(4,5)10-19/h6-7,22H,8-10H2,1-5H3,(H,17,20)
InChIKeyGATGTBQAKOBBIJ-UHFFFAOYSA-N
XLogP2.02
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.02
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 2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide (CID 58465839) is 2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide is CC1(C)CN(C(=O)C(C)(C)C)Cc2cc(C(=O)NO)cn2C1.
What is the InChIKey of 2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide?
The InChIKey is GATGTBQAKOBBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-15(2,3)14(21)19-8-12-6-11(13(20)17-22)7-18(12)9-16(4,5)10-19/h6-7,22H,8-10H2,1-5H3,(H,17,20).
What are the key properties of 2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide?
2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 58465839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).