5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide

C24H27NO3 — CID 19450723

IUPAC5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)c1C
InChIInChI=1S/C24H27NO3/c1-16-7-6-8-21(17(16)2)25-23(26)22-14-13-20(28-22)15-27-19-11-9-18(10-12-19)24(3,4)5/h6-14H,15H2,1-5H3,(H,25,26)
InChIKeyYJDFHTREFWUHEX-UHFFFAOYSA-N
MW377.48 g/mol
LogP6.03
Rot. Bonds5

About 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide

5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide (PubChem CID 19450723) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
PubChem CID19450723
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)c1C
InChIInChI=1S/C24H27NO3/c1-16-7-6-8-21(17(16)2)25-23(26)22-14-13-20(28-22)15-27-19-11-9-18(10-12-19)24(3,4)5/h6-14H,15H2,1-5H3,(H,25,26)
InChIKeyYJDFHTREFWUHEX-UHFFFAOYSA-N
XLogP6.03
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19452486
N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455386
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457189
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19457390
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940
5-[(4-tert-butylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19450727
5-[(4-tert-butylphenoxy)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450737
5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 20993932
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide (CID 19450723) is 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)c1C.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide?
The InChIKey is YJDFHTREFWUHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-16-7-6-8-21(17(16)2)25-23(26)22-14-13-20(28-22)15-27-19-11-9-18(10-12-19)24(3,4)5/h6-14H,15H2,1-5H3,(H,25,26).
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide?
5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide has a molecular weight of 377.48 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19450723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).