N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide

C15H14N2O4 — CID 86788421

IUPACN-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide
SMILESCOCCOc1ccc(C#N)cc1NC(=O)c1ccco1
InChIInChI=1S/C15H14N2O4/c1-19-7-8-21-13-5-4-11(10-16)9-12(13)17-15(18)14-3-2-6-20-14/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyXKZANGQJVYVQLN-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.43
Rot. Bonds6

About N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide

N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide (PubChem CID 86788421) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide
PubChem CID86788421
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide
SMILESCOCCOc1ccc(C#N)cc1NC(=O)c1ccco1
InChIInChI=1S/C15H14N2O4/c1-19-7-8-21-13-5-4-11(10-16)9-12(13)17-15(18)14-3-2-6-20-14/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyXKZANGQJVYVQLN-UHFFFAOYSA-N
XLogP2.43
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 75503520
N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 86815046
N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2958701
N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
CID 3169047
N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781
4-[[5-cyano-2-(2-methoxyethoxy)phenyl]carbamoyl]morpholine-2-carboxylic acid
CID 154782627
N-(3,4-dipropoxyphenyl)furan-2-carboxamide
CID 26212098
3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
CID 107659316
ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate
CID 3186760
N'-(3-cyanobenzoyl)furan-2-carbohydrazide
CID 9477248
methyl 5-cyano-2-hydroxybenzoate;methyl 5-cyano-2-(2-methoxyethoxy)benzoate
CID 68720166

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide (CID 86788421) is N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide is COCCOc1ccc(C#N)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide?
The InChIKey is XKZANGQJVYVQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-19-7-8-21-13-5-4-11(10-16)9-12(13)17-15(18)14-3-2-6-20-14/h2-6,9H,7-8H2,1H3,(H,17,18).
What are the key properties of N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide?
N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 86788421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).