N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide

C14H17NO4 — CID 54993279

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO4/c1-15(8-11(16)9-18-2)14(17)13-7-10-5-3-4-6-12(10)19-13/h3-7,11,16H,8-9H2,1-2H3
InChIKeyYBSRIQOALYSDEZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.51
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide

N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 54993279) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide
PubChem CID54993279
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO4/c1-15(8-11(16)9-18-2)14(17)13-7-10-5-3-4-6-12(10)19-13/h3-7,11,16H,8-9H2,1-2H3
InChIKeyYBSRIQOALYSDEZ-UHFFFAOYSA-N
XLogP1.51
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62185684
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63287232
4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid
CID 43235400
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 47389196
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994795
5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide
CID 111695089
2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 86925685

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide (CID 54993279) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide is COCC(O)CN(C)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is YBSRIQOALYSDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15(8-11(16)9-18-2)14(17)13-7-10-5-3-4-6-12(10)19-13/h3-7,11,16H,8-9H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 263.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 54993279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).