5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide

C19H25NO3 — CID 2166341

IUPAC5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C19H25NO3/c1-5-12-20-18(21)17-11-10-16(23-17)13-22-15-8-6-14(7-9-15)19(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,20,21)
InChIKeyQAMJDZVGVYEHHC-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.30
Rot. Bonds6

About 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide

5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide (PubChem CID 2166341) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide
PubChem CID2166341
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C19H25NO3/c1-5-12-20-18(21)17-11-10-16(23-17)13-22-15-8-6-14(7-9-15)19(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,20,21)
InChIKeyQAMJDZVGVYEHHC-UHFFFAOYSA-N
XLogP4.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905
[5-(4-Isopropyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 717029
5-[(4-ethoxyphenoxy)methyl]-N-isopropyl-2-furamide
CID 892168
5-[(4-tert-butylphenoxy)methyl]-N-isopropyl-2-furamide
CID 892519
5-[(4-Methoxy-benzoylamino)-methyl]-furan-2-carboxylic acid
CID 976896
[5-(3,4-Dimethyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1084328
[5-(4-Propyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1091762
5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2166253
5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 2942268
5-(2-methylpropyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 5295624

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide (CID 2166341) is 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide is CCCNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide?
The InChIKey is QAMJDZVGVYEHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-5-12-20-18(21)17-11-10-16(23-17)13-22-15-8-6-14(7-9-15)19(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,20,21).
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide?
5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 4.30, 6 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-propylfuran-2-carboxamide is sourced from PubChem (CID 2166341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).