N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C25H28FNO3 — CID 19413099

IUPACN-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C25H28FNO3/c1-4-17(3)18-6-8-19(9-7-18)23(5-2)27-25(28)24-15-14-22(30-24)16-29-21-12-10-20(26)11-13-21/h6-15,17,23H,4-5,16H2,1-3H3,(H,27,28)
InChIKeyNDHFJCVBZGTWAD-UHFFFAOYSA-N
MW409.50 g/mol
LogP6.39
Rot. Bonds9

About N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19413099) has the molecular formula C25H28FNO3 and a molecular weight of 409.50 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19413099
Molecular FormulaC25H28FNO3
Molecular Weight409.50 g/mol
Exact Mass409.21
IUPAC NameN-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C25H28FNO3/c1-4-17(3)18-6-8-19(9-7-18)23(5-2)27-25(28)24-15-14-22(30-24)16-29-21-12-10-20(26)11-13-21/h6-15,17,23H,4-5,16H2,1-3H3,(H,27,28)
InChIKeyNDHFJCVBZGTWAD-UHFFFAOYSA-N
XLogP6.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.50
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448118
N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458905
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446361
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19450467
methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19450595
N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19450525
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461862
N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119585414
N-[1-(4-butan-2-ylphenyl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415982
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylpropyl)furan-2-carboxamide
CID 19458901
5-[(4-butan-2-ylphenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 19450520

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 19413099) is N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is CCC(C)c1ccc(C(CC)NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is NDHFJCVBZGTWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO3/c1-4-17(3)18-6-8-19(9-7-18)23(5-2)27-25(28)24-15-14-22(30-24)16-29-21-12-10-20(26)11-13-21/h6-15,17,23H,4-5,16H2,1-3H3,(H,27,28).
What are the key properties of N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 409.50 g/mol, XLogP of 6.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19413099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).