2-amino-4-(oxan-2-ylmethoxy)butanamide

C10H20N2O3 — CID 63038916

IUPAC2-amino-4-(oxan-2-ylmethoxy)butanamide
SMILESNC(=O)C(N)CCOCC1CCCCO1
InChIInChI=1S/C10H20N2O3/c11-9(10(12)13)4-6-14-7-8-3-1-2-5-15-8/h8-9H,1-7,11H2,(H2,12,13)
InChIKeyCJRVBLDXIWHXHH-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.23
Rot. Bonds6

About 2-amino-4-(oxan-2-ylmethoxy)butanamide

2-amino-4-(oxan-2-ylmethoxy)butanamide (PubChem CID 63038916) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-4-(oxan-2-ylmethoxy)butanamide.

Molecular Properties

Compound Name2-amino-4-(oxan-2-ylmethoxy)butanamide
PubChem CID63038916
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-amino-4-(oxan-2-ylmethoxy)butanamide
SMILESNC(=O)C(N)CCOCC1CCCCO1
InChIInChI=1S/C10H20N2O3/c11-9(10(12)13)4-6-14-7-8-3-1-2-5-15-8/h8-9H,1-7,11H2,(H2,12,13)
InChIKeyCJRVBLDXIWHXHH-UHFFFAOYSA-N
XLogP-0.23
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(oxan-2-ylmethoxy)propanamide
CID 22444989
4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide
CID 55144151
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858
ethyl 4-(oxan-2-ylmethoxy)-2-(propan-2-ylamino)butanoate
CID 63040240
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
oxan-2-ylmethyl 2-amino-5-methoxypentanoate
CID 81085892
oxan-2-ylmethyl 2-amino-2-cyclohexylacetate
CID 61277423
2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentan-1-ol
CID 79564499
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(oxan-2-ylmethoxy)butanamide?
The IUPAC name of 2-amino-4-(oxan-2-ylmethoxy)butanamide (CID 63038916) is 2-amino-4-(oxan-2-ylmethoxy)butanamide.
What is the SMILES notation for 2-amino-4-(oxan-2-ylmethoxy)butanamide?
The canonical SMILES for 2-amino-4-(oxan-2-ylmethoxy)butanamide is NC(=O)C(N)CCOCC1CCCCO1.
What is the InChIKey of 2-amino-4-(oxan-2-ylmethoxy)butanamide?
The InChIKey is CJRVBLDXIWHXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c11-9(10(12)13)4-6-14-7-8-3-1-2-5-15-8/h8-9H,1-7,11H2,(H2,12,13).
What are the key properties of 2-amino-4-(oxan-2-ylmethoxy)butanamide?
2-amino-4-(oxan-2-ylmethoxy)butanamide has a molecular weight of 216.28 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(oxan-2-ylmethoxy)butanamide is sourced from PubChem (CID 63038916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).