2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide

C9H14N2O4 — CID 87598954

IUPAC2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide
SMILESO=CC(=O)NCC(=O)NC1CCOCC1
InChIInChI=1S/C9H14N2O4/c12-6-9(14)10-5-8(13)11-7-1-3-15-4-2-7/h6-7H,1-5H2,(H,10,14)(H,11,13)
InChIKeyAXEISWSXWSYUSP-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.40
Rot. Bonds4

About 2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide

2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide (PubChem CID 87598954) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide
PubChem CID87598954
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide
SMILESO=CC(=O)NCC(=O)NC1CCOCC1
InChIInChI=1S/C9H14N2O4/c12-6-9(14)10-5-8(13)11-7-1-3-15-4-2-7/h6-7H,1-5H2,(H,10,14)(H,11,13)
InChIKeyAXEISWSXWSYUSP-UHFFFAOYSA-N
XLogP-1.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
N-(oxan-4-yl)but-3-enamide
CID 134356735
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide
CID 114009193
2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide
CID 83120793
2-oxo-N-[(3S)-oxolan-3-yl]acetamide
CID 139551845
N-cycloheptyl-2-(oxan-4-ylmethylamino)acetamide
CID 63725638
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
2-[(3,3-dimethylcyclopentyl)amino]-N-(oxan-4-yl)acetamide
CID 114546014
N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 106291923
2-(2-methoxypropylamino)-N-(oxan-4-yl)acetamide
CID 102697815

Frequently Asked Questions

What is the IUPAC name of 2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide (CID 87598954) is 2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide is O=CC(=O)NCC(=O)NC1CCOCC1.
What is the InChIKey of 2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide?
The InChIKey is AXEISWSXWSYUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c12-6-9(14)10-5-8(13)11-7-1-3-15-4-2-7/h6-7H,1-5H2,(H,10,14)(H,11,13).
What are the key properties of 2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide?
2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide has a molecular weight of 214.22 g/mol, XLogP of -1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 87598954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).