2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide

C10H18BrNO3 — CID 63680867

IUPAC2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
SMILESO=C(CBr)NCCCOCC1CCCO1
InChIInChI=1S/C10H18BrNO3/c11-7-10(13)12-4-2-5-14-8-9-3-1-6-15-9/h9H,1-8H2,(H,12,13)
InChIKeyZRDYHQSNZXGOQT-UHFFFAOYSA-N
MW280.16 g/mol
LogP1.08
Rot. Bonds7

About 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide

2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide (PubChem CID 63680867) has the molecular formula C10H18BrNO3 and a molecular weight of 280.16 g/mol. Its IUPAC name is 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
PubChem CID63680867
Molecular FormulaC10H18BrNO3
Molecular Weight280.16 g/mol
Exact Mass279.05
IUPAC Name2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
SMILESO=C(CBr)NCCCOCC1CCCO1
InChIInChI=1S/C10H18BrNO3/c11-7-10(13)12-4-2-5-14-8-9-3-1-6-15-9/h9H,1-8H2,(H,12,13)
InChIKeyZRDYHQSNZXGOQT-UHFFFAOYSA-N
XLogP1.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61275516
7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
CID 61274559
2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
CID 79345576
3-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]-N-propylpropanamide
CID 111408865
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
N-[2-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111409222
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082
2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide
CID 124888880
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide?
The IUPAC name of 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide (CID 63680867) is 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide.
What is the SMILES notation for 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide?
The canonical SMILES for 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide is O=C(CBr)NCCCOCC1CCCO1.
What is the InChIKey of 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide?
The InChIKey is ZRDYHQSNZXGOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO3/c11-7-10(13)12-4-2-5-14-8-9-3-1-6-15-9/h9H,1-8H2,(H,12,13).
What are the key properties of 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide?
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide has a molecular weight of 280.16 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide is sourced from PubChem (CID 63680867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).