N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide

C17H19NO5 — CID 28624133

IUPACN-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide
SMILESCCC[C@@H](O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2
InChIInChI=1S/C17H19NO5/c1-2-4-13(19)11-9-15-16(23-8-7-22-15)10-12(11)18-17(20)14-5-3-6-21-14/h3,5-6,9-10,13,19H,2,4,7-8H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyHKJTVNCSQQXADZ-CYBMUJFWSA-N
MW317.34 g/mol
LogP3.14
Rot. Bonds5

About N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide

N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide (PubChem CID 28624133) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide
PubChem CID28624133
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC NameN-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide
SMILESCCC[C@@H](O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2
InChIInChI=1S/C17H19NO5/c1-2-4-13(19)11-9-15-16(23-8-7-22-15)10-12(11)18-17(20)14-5-3-6-21-14/h3,5-6,9-10,13,19H,2,4,7-8H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyHKJTVNCSQQXADZ-CYBMUJFWSA-N
XLogP3.14
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[7-(1-hydroxybutyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide
CID 25250109
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 43548190
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 94297321
N-[4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 46461915
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
N-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43011577
N-[(1R)-1-phenylbutyl]furan-2-carboxamide
CID 29086850
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 6461351
N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
CID 959679
N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide
CID 804751
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274

Frequently Asked Questions

What is the IUPAC name of N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide?
The IUPAC name of N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide (CID 28624133) is N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide.
What is the SMILES notation for N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide?
The canonical SMILES for N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide is CCC[C@@H](O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2.
What is the InChIKey of N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide?
The InChIKey is HKJTVNCSQQXADZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19NO5/c1-2-4-13(19)11-9-15-16(23-8-7-22-15)10-12(11)18-17(20)14-5-3-6-21-14/h3,5-6,9-10,13,19H,2,4,7-8H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide?
N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 28624133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).