5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide

C24H27NO3 — CID 19450467

IUPAC5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(COc3ccc(C(C)CC)cc3)o2)cc1
InChIInChI=1S/C24H27NO3/c1-4-17(3)19-8-12-21(13-9-19)27-16-22-14-15-23(28-22)24(26)25-20-10-6-18(5-2)7-11-20/h6-15,17H,4-5,16H2,1-3H3,(H,25,26)
InChIKeyIDNOPDSWQZPWLQ-UHFFFAOYSA-N
MW377.48 g/mol
LogP6.19
Rot. Bonds8

About 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide

5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide (PubChem CID 19450467) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
PubChem CID19450467
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(COc3ccc(C(C)CC)cc3)o2)cc1
InChIInChI=1S/C24H27NO3/c1-4-17(3)19-8-12-21(13-9-19)27-16-22-14-15-23(28-22)24(26)25-20-10-6-18(5-2)7-11-20/h6-15,17H,4-5,16H2,1-3H3,(H,25,26)
InChIKeyIDNOPDSWQZPWLQ-UHFFFAOYSA-N
XLogP6.19
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19450595
5-[(4-butan-2-ylphenoxy)methyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 19450435
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448118
5-[(4-butan-2-ylphenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 19450520
5-[(4-butan-2-ylphenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
CID 19450446
5-[(4-butan-2-ylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19450441
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446559
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413099
dimethyl 5-[[5-[(4-ethylphenoxy)methyl]furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19415870
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448207

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide (CID 19450467) is 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide is CCc1ccc(NC(=O)c2ccc(COc3ccc(C(C)CC)cc3)o2)cc1.
What is the InChIKey of 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide?
The InChIKey is IDNOPDSWQZPWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-4-17(3)19-8-12-21(13-9-19)27-16-22-14-15-23(28-22)24(26)25-20-10-6-18(5-2)7-11-20/h6-15,17H,4-5,16H2,1-3H3,(H,25,26).
What are the key properties of 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide?
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide has a molecular weight of 377.48 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19450467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).