N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide

C15H15NO5 — CID 94297321

IUPACN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C15H15NO5/c17-11(9-16-15(18)13-2-1-5-19-13)10-3-4-12-14(8-10)21-7-6-20-12/h1-5,8,11,17H,6-7,9H2,(H,16,18)/t11-/m0/s1
InChIKeyPVTYAKSNTASMHR-NSHDSACASA-N
MW289.29 g/mol
LogP1.51
Rot. Bonds4

About N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide

N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide (PubChem CID 94297321) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide
PubChem CID94297321
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC NameN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C15H15NO5/c17-11(9-16-15(18)13-2-1-5-19-13)10-3-4-12-14(8-10)21-7-6-20-12/h1-5,8,11,17H,6-7,9H2,(H,16,18)/t11-/m0/s1
InChIKeyPVTYAKSNTASMHR-NSHDSACASA-N
XLogP1.51
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]benzamide
CID 119099537
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94317247
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide
CID 124892264
2-(2-chlorophenyl)-N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]acetamide
CID 124892016
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]furan-2-carboxamide
CID 121126923
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 6461351
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-1,3-benzothiazole-2-carboxamide
CID 119099543
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol
CID 155152100
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
CID 9183705
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 124605589
N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide
CID 28624133

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide (CID 94297321) is N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide is O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1ccco1.
What is the InChIKey of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide?
The InChIKey is PVTYAKSNTASMHR-NSHDSACASA-N. The full InChI is InChI=1S/C15H15NO5/c17-11(9-16-15(18)13-2-1-5-19-13)10-3-4-12-14(8-10)21-7-6-20-12/h1-5,8,11,17H,6-7,9H2,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide?
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide is sourced from PubChem (CID 94297321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).