N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide

C15H17NO4 — CID 25199546

IUPACN-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)o1
InChIInChI=1S/C15H17NO4/c1-9-7-12(10(2)20-9)15(19)16-6-5-11-3-4-13(17)14(18)8-11/h3-4,7-8,17-18H,5-6H2,1-2H3,(H,16,19)
InChIKeyZJHWBFYNGOYGDN-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.28
Rot. Bonds4

About N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 25199546) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID25199546
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)o1
InChIInChI=1S/C15H17NO4/c1-9-7-12(10(2)20-9)15(19)16-6-5-11-3-4-13(17)14(18)8-11/h3-4,7-8,17-18H,5-6H2,1-2H3,(H,16,19)
InChIKeyZJHWBFYNGOYGDN-UHFFFAOYSA-N
XLogP2.28
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 90558255
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 75393808
N-[2-(3,4-dihydroxyphenyl)ethyl]-3,5-difluorobenzamide
CID 78796775
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412
N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 30797202
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide
CID 78797271
2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
CID 7346584
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
2-benzoyl-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 177308540

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide (CID 25199546) is N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)o1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ZJHWBFYNGOYGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-7-12(10(2)20-9)15(19)16-6-5-11-3-4-13(17)14(18)8-11/h3-4,7-8,17-18H,5-6H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 25199546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).