N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide

C16H16N2O4 — CID 711856

IUPACN-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide
SMILESCCOc1cc(C#N)c(NC(=O)c2ccco2)cc1OCC
InChIInChI=1S/C16H16N2O4/c1-3-20-14-8-11(10-17)12(9-15(14)21-4-2)18-16(19)13-6-5-7-22-13/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyUKIPMBJTHYQCMV-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.20
Rot. Bonds6

About N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide

N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide (PubChem CID 711856) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide
PubChem CID711856
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide
SMILESCCOc1cc(C#N)c(NC(=O)c2ccco2)cc1OCC
InChIInChI=1S/C16H16N2O4/c1-3-20-14-8-11(10-17)12(9-15(14)21-4-2)18-16(19)13-6-5-7-22-13/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyUKIPMBJTHYQCMV-UHFFFAOYSA-N
XLogP3.20
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2214195
N-(2-methyl-4-{[(3-methylphenoxy)acetyl]amino}phenyl)furan-2-carboxamide
CID 1141329
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylfuran-2-carboxamide
CID 3970919
N-[3-(3,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide
CID 9403695
N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide
CID 831035
2H,3H-benzo[3,4-e]1,4-dioxan-6-yl-N-[4-(2-furylcarbonylamino)-3-methoxyphenyl] carboxamide
CID 1370835
N-(4-{[2-(3,4-diethoxyphenyl)acetyl]amino}phenyl)-2-furamide
CID 1503622
N-{3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl}-2-furamide
CID 1218910
N-[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1157622
2-(Furan-2-amido)-4,5-dimethoxybenzoic acid
CID 717927
Furan-2-carboxylic acid {4-[2-(3,4-dimethoxy-phenyl)-acetylamino]-2,5-diethoxy-phenyl}-amide
CID 653462
N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 732534

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide (CID 711856) is N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide is CCOc1cc(C#N)c(NC(=O)c2ccco2)cc1OCC.
What is the InChIKey of N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide?
The InChIKey is UKIPMBJTHYQCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-20-14-8-11(10-17)12(9-15(14)21-4-2)18-16(19)13-6-5-7-22-13/h5-9H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide?
N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4,5-diethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 711856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).