N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

C17H21NO4 — CID 3244876

IUPACN-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NC(C)(C)C)o1
InChIInChI=1S/C17H21NO4/c1-17(2,3)18-16(19)15-10-9-12(22-15)11-21-14-8-6-5-7-13(14)20-4/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyUALIGSCDMSVKSH-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.40
Rot. Bonds5

About N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 3244876) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID3244876
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NC(C)(C)C)o1
InChIInChI=1S/C17H21NO4/c1-17(2,3)18-16(19)15-10-9-12(22-15)11-21-14-8-6-5-7-13(14)20-4/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyUALIGSCDMSVKSH-UHFFFAOYSA-N
XLogP3.40
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-Methoxyphenoxy)methyl]furan-2-carbohydrazide
CID 840750
5-[(4-ethoxyphenoxy)methyl]-N-isopropyl-2-furamide
CID 892168
5-[(2-methoxy-4-propylphenoxy)methyl]-N-propyl-2-furamide
CID 2166253
5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)-2-furamide
CID 2942268
N-(2-furylmethyl)-4-(2-methoxyphenoxy)butanamide
CID 1631610
5-[(4-methylphenoxy)methyl]-N-propyl-2-furamide
CID 2200397
N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
N-[2-(2-methoxyphenoxy)ethyl]-5-methylfuran-2-carboxamide
CID 24980889
1-{5-[(4-Ethoxyphenoxy)methyl]-2-furoyl}pyrrolidine
CID 892182
N-(2-furylmethyl)-5-[(2-methoxyphenoxy)methyl]-2-furamide
CID 893083
N-cyclohexyl-5-[(2,2,2-trifluoroethoxy)methyl]-2-furamide
CID 893108
N-(3,4-dimethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 1091791

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (CID 3244876) is N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)NC(C)(C)C)o1.
What is the InChIKey of N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is UALIGSCDMSVKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-17(2,3)18-16(19)15-10-9-12(22-15)11-21-14-8-6-5-7-13(14)20-4/h5-10H,11H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 3244876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).