N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide

C15H15NO5 — CID 95973166

IUPACN-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
SMILESO=C(COc1ccc2c(c1)OC[C@@H]2O)NCc1ccco1
InChIInChI=1S/C15H15NO5/c17-13-8-21-14-6-10(3-4-12(13)14)20-9-15(18)16-7-11-2-1-5-19-11/h1-6,13,17H,7-9H2,(H,16,18)/t13-/m0/s1
InChIKeyPRDQABRBOKTLSH-ZDUSSCGKSA-N
MW289.29 g/mol
LogP1.40
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide

N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide (PubChem CID 95973166) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
PubChem CID95973166
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC NameN-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
SMILESO=C(COc1ccc2c(c1)OC[C@@H]2O)NCc1ccco1
InChIInChI=1S/C15H15NO5/c17-13-8-21-14-6-10(3-4-12(13)14)20-9-15(18)16-7-11-2-1-5-19-11/h1-6,13,17H,7-9H2,(H,16,18)/t13-/m0/s1
InChIKeyPRDQABRBOKTLSH-ZDUSSCGKSA-N
XLogP1.40
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
N-(furan-2-ylmethyl)-2-quinoxalin-6-yloxyacetamide
CID 51362583
2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 692240
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 7671527
ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
CID 63097126
2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide
CID 63094817
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2707681
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
CID 63097450
2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone
CID 63096969

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide (CID 95973166) is N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide is O=C(COc1ccc2c(c1)OC[C@@H]2O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
The InChIKey is PRDQABRBOKTLSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15NO5/c17-13-8-21-14-6-10(3-4-12(13)14)20-9-15(18)16-7-11-2-1-5-19-11/h1-6,13,17H,7-9H2,(H,16,18)/t13-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide has a molecular weight of 289.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide is sourced from PubChem (CID 95973166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).