5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide

C11H16BrNO4 — CID 111695089

IUPAC5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1oc(Br)cc1C
InChIInChI=1S/C11H16BrNO4/c1-7-4-9(12)17-10(7)11(15)13(2)5-8(14)6-16-3/h4,8,14H,5-6H2,1-3H3
InChIKeyJVUZEPRDSRVOJK-UHFFFAOYSA-N
MW306.16 g/mol
LogP1.43
Rot. Bonds5

About 5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide

5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide (PubChem CID 111695089) has the molecular formula C11H16BrNO4 and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide
PubChem CID111695089
Molecular FormulaC11H16BrNO4
Molecular Weight306.16 g/mol
Exact Mass305.03
IUPAC Name5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1oc(Br)cc1C
InChIInChI=1S/C11H16BrNO4/c1-7-4-9(12)17-10(7)11(15)13(2)5-8(14)6-16-3/h4,8,14H,5-6H2,1-3H3
InChIKeyJVUZEPRDSRVOJK-UHFFFAOYSA-N
XLogP1.43
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 115283349
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 54993279
4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63213865
N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-carboxamide
CID 104627104
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 62539688
N-(2-hydroxy-3-methoxypropyl)-N,6-dimethylpyridine-3-carboxamide
CID 54993418
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide
CID 111695032
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide (CID 111695089) is 5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide is COCC(O)CN(C)C(=O)c1oc(Br)cc1C.
What is the InChIKey of 5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide?
The InChIKey is JVUZEPRDSRVOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4/c1-7-4-9(12)17-10(7)11(15)13(2)5-8(14)6-16-3/h4,8,14H,5-6H2,1-3H3.
What are the key properties of 5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide?
5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide is sourced from PubChem (CID 111695089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).