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

C28H35NO3 — CID 19448118

IUPACN-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2ccc(COc3ccc(C(C)C)cc3)o2)cc1
InChIInChI=1S/C28H35NO3/c1-6-20(5)22-8-10-23(11-9-22)26(7-2)29-28(30)27-17-16-25(32-27)18-31-24-14-12-21(13-15-24)19(3)4/h8-17,19-20,26H,6-7,18H2,1-5H3,(H,29,30)
InChIKeyBDCTVSWWHIPDIK-UHFFFAOYSA-N
MW433.59 g/mol
LogP7.38
Rot. Bonds10

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

N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19448118) has the molecular formula C28H35NO3 and a molecular weight of 433.59 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID19448118
Molecular FormulaC28H35NO3
Molecular Weight433.59 g/mol
Exact Mass433.26
IUPAC NameN-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2ccc(COc3ccc(C(C)C)cc3)o2)cc1
InChIInChI=1S/C28H35NO3/c1-6-20(5)22-8-10-23(11-9-22)26(7-2)29-28(30)27-17-16-25(32-27)18-31-24-14-12-21(13-15-24)19(3)4/h8-17,19-20,26H,6-7,18H2,1-5H3,(H,29,30)
InChIKeyBDCTVSWWHIPDIK-UHFFFAOYSA-N
XLogP7.38
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.59
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413099
N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458905
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-(4-butan-2-ylphenyl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446361
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461862
N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19450525
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
N-[1-(4-butan-2-ylphenyl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415982

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19448118) is N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is CCC(C)c1ccc(C(CC)NC(=O)c2ccc(COc3ccc(C(C)C)cc3)o2)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is BDCTVSWWHIPDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO3/c1-6-20(5)22-8-10-23(11-9-22)26(7-2)29-28(30)27-17-16-25(32-27)18-31-24-14-12-21(13-15-24)19(3)4/h8-17,19-20,26H,6-7,18H2,1-5H3,(H,29,30).
What are the key properties of N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 433.59 g/mol, XLogP of 7.38, 10 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-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19448118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).