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

C11H20BrNO3 — CID 107904862

IUPAC2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
SMILESCC(Br)C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C11H20BrNO3/c1-9(12)11(14)13-5-3-6-15-8-10-4-2-7-16-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyYQBNMFRVIFQXLO-UHFFFAOYSA-N
MW294.19 g/mol
LogP1.47
Rot. Bonds7

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

2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide (PubChem CID 107904862) has the molecular formula C11H20BrNO3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
PubChem CID107904862
Molecular FormulaC11H20BrNO3
Molecular Weight294.19 g/mol
Exact Mass293.06
IUPAC Name2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
SMILESCC(Br)C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C11H20BrNO3/c1-9(12)11(14)13-5-3-6-15-8-10-4-2-7-16-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyYQBNMFRVIFQXLO-UHFFFAOYSA-N
XLogP1.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 51.47
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

(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
CID 79345576
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61275516
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
2-methyl-1-(4-methylpentyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409288
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
The IUPAC name of 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide (CID 107904862) is 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide.
What is the SMILES notation for 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
The canonical SMILES for 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide is CC(Br)C(=O)NCCCOCC1CCCO1.
What is the InChIKey of 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
The InChIKey is YQBNMFRVIFQXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3/c1-9(12)11(14)13-5-3-6-15-8-10-4-2-7-16-10/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide?
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide has a molecular weight of 294.19 g/mol, XLogP of 1.47, 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]propanamide is sourced from PubChem (CID 107904862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).