N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide

C17H15NO5 — CID 58854780

IUPACN-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(COCOc2ccco2)cc1)c1ccco1
InChIInChI=1S/C17H15NO5/c19-17(15-3-1-9-21-15)18-14-7-5-13(6-8-14)11-20-12-23-16-4-2-10-22-16/h1-10H,11-12H2,(H,18,19)
InChIKeyCCHGCHQALWSTCE-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.68
Rot. Bonds7

About N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide

N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide (PubChem CID 58854780) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide
PubChem CID58854780
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC NameN-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(COCOc2ccco2)cc1)c1ccco1
InChIInChI=1S/C17H15NO5/c19-17(15-3-1-9-21-15)18-14-7-5-13(6-8-14)11-20-12-23-16-4-2-10-22-16/h1-10H,11-12H2,(H,18,19)
InChIKeyCCHGCHQALWSTCE-UHFFFAOYSA-N
XLogP3.68
TPSA73.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
CID 112787723
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide
CID 30907632
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide (CID 58854780) is N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(COCOc2ccco2)cc1)c1ccco1.
What is the InChIKey of N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide?
The InChIKey is CCHGCHQALWSTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c19-17(15-3-1-9-21-15)18-14-7-5-13(6-8-14)11-20-12-23-16-4-2-10-22-16/h1-10H,11-12H2,(H,18,19).
What are the key properties of N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide?
N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yloxymethoxymethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 58854780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).