2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide

C17H16N2O5 — CID 78895491

IUPAC2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide
SMILESCOCc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)o1
InChIInChI=1S/C17H16N2O5/c1-22-10-13-7-8-15(24-13)16(20)14(9-18)17(21)19-11-3-5-12(23-2)6-4-11/h3-8,14H,10H2,1-2H3,(H,19,21)
InChIKeyWVSKAFNRDJPHBF-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.40
Rot. Bonds7

About 2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide

2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide (PubChem CID 78895491) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide
PubChem CID78895491
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide
SMILESCOCc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)o1
InChIInChI=1S/C17H16N2O5/c1-22-10-13-7-8-15(24-13)16(20)14(9-18)17(21)19-11-3-5-12(23-2)6-4-11/h3-8,14H,10H2,1-2H3,(H,19,21)
InChIKeyWVSKAFNRDJPHBF-UHFFFAOYSA-N
XLogP2.40
TPSA101.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyano-3-(5-ethylfuran-2-yl)-N-methyl-3-oxopropanamide
CID 98450623
(2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-3-(3,4,5-trifluorophenyl)propanamide
CID 98142107
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
2-cyano-3-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 87012140
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
2-cyano-3-(2,2-dichlorocyclopropyl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 78895490
(2R)-2-cyano-3-(3,5-dimethoxyphenyl)-3-oxo-N-phenylpropanamide
CID 98450161
2-cyano-N-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3-oxobutanamide
CID 54016391
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541443
(2R)-2-cyano-4-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-methoxyphenyl)-3-oxobutanamide
CID 98359261
(Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide
CID 98529487
[1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] 5-(methoxymethyl)furan-2-carboxylate
CID 42923648

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide?
The IUPAC name of 2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide (CID 78895491) is 2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide.
What is the SMILES notation for 2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide?
The canonical SMILES for 2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide is COCc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(OC)cc2)o1.
What is the InChIKey of 2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide?
The InChIKey is WVSKAFNRDJPHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-22-10-13-7-8-15(24-13)16(20)14(9-18)17(21)19-11-3-5-12(23-2)6-4-11/h3-8,14H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide?
2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide has a molecular weight of 328.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide is sourced from PubChem (CID 78895491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).