N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide

C12H19N3O4 — CID 68515245

IUPACN-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1CC=CCN(O)C1=O
InChIInChI=1S/C12H19N3O4/c16-11(9-14-5-7-19-8-6-14)13-10-3-1-2-4-15(18)12(10)17/h1-2,10,18H,3-9H2,(H,13,16)
InChIKeyUBKPIDDBGJYJEY-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.02
Rot. Bonds3

About N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide

N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide (PubChem CID 68515245) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide
PubChem CID68515245
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1CC=CCN(O)C1=O
InChIInChI=1S/C12H19N3O4/c16-11(9-14-5-7-19-8-6-14)13-10-3-1-2-4-15(18)12(10)17/h1-2,10,18H,3-9H2,(H,13,16)
InChIKeyUBKPIDDBGJYJEY-UHFFFAOYSA-N
XLogP-1.02
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide (CID 68515245) is N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NC1CC=CCN(O)C1=O.
What is the InChIKey of N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide?
The InChIKey is UBKPIDDBGJYJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-11(9-14-5-7-19-8-6-14)13-10-3-1-2-4-15(18)12(10)17/h1-2,10,18H,3-9H2,(H,13,16).
What are the key properties of N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide?
N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide has a molecular weight of 269.30 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 68515245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).