2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

C9H16BrNO3 — CID 106297187

IUPAC2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESCC(Br)C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C9H16BrNO3/c1-7(10)8(13)11-9(6-12)2-4-14-5-3-9/h7,12H,2-6H2,1H3,(H,11,13)
InChIKeyAOKHQUMENXPWFM-UHFFFAOYSA-N
MW266.13 g/mol
LogP0.43
Rot. Bonds3

About 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (PubChem CID 106297187) has the molecular formula C9H16BrNO3 and a molecular weight of 266.13 g/mol. Its IUPAC name is 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
PubChem CID106297187
Molecular FormulaC9H16BrNO3
Molecular Weight266.13 g/mol
Exact Mass265.03
IUPAC Name2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESCC(Br)C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C9H16BrNO3/c1-7(10)8(13)11-9(6-12)2-4-14-5-3-9/h7,12H,2-6H2,1H3,(H,11,13)
InChIKeyAOKHQUMENXPWFM-UHFFFAOYSA-N
XLogP0.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
CID 104630382
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
CID 106298860
N-[4-(hydroxymethyl)oxan-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 113435046
(E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide
CID 170599713
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62551131
2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297841
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide
CID 106298831
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
CID 103878575
N-butan-2-yl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297661

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The IUPAC name of 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (CID 106297187) is 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.
What is the SMILES notation for 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The canonical SMILES for 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is CC(Br)C(=O)NC1(CO)CCOCC1.
What is the InChIKey of 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The InChIKey is AOKHQUMENXPWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO3/c1-7(10)8(13)11-9(6-12)2-4-14-5-3-9/h7,12H,2-6H2,1H3,(H,11,13).
What are the key properties of 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide has a molecular weight of 266.13 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is sourced from PubChem (CID 106297187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).