N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide

C17H19NO5 — CID 78824798

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC(C)c2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C17H19NO5/c1-11(12-3-5-14-16(9-12)22-8-7-21-14)18-17(19)15-6-4-13(23-15)10-20-2/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyQLQSYBAZZCTELM-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.69
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 78824798) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID78824798
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC(C)c2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C17H19NO5/c1-11(12-3-5-14-16(9-12)22-8-7-21-14)18-17(19)15-6-4-13(23-15)10-20-2/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyQLQSYBAZZCTELM-UHFFFAOYSA-N
XLogP2.69
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824819
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 55997594
N-[1-(3,4-diethoxyphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824780
N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 86925221
5-(methoxymethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide
CID 78867521
5-(methoxymethyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]furan-2-carboxamide
CID 78890847
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxypropanamide
CID 115588112
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybenzamide
CID 18155824
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18114855
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 18114856
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46451961
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
CID 9166024

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide (CID 78824798) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NC(C)c2ccc3c(c2)OCCO3)o1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is QLQSYBAZZCTELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-11(12-3-5-14-16(9-12)22-8-7-21-14)18-17(19)15-6-4-13(23-15)10-20-2/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78824798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).