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

C22H29NO3 — CID 998142

IUPAC5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NC3CCCCC3)o2)cc1
InChIInChI=1S/C22H29NO3/c1-22(2,3)16-9-11-18(12-10-16)25-15-19-13-14-20(26-19)21(24)23-17-7-5-4-6-8-17/h9-14,17H,4-8,15H2,1-3H3,(H,23,24)
InChIKeyMHNOFMUMNWXAMR-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.22
Rot. Bonds5

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

5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide (PubChem CID 998142) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
PubChem CID998142
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NC3CCCCC3)o2)cc1
InChIInChI=1S/C22H29NO3/c1-22(2,3)16-9-11-18(12-10-16)25-15-19-13-14-20(26-19)21(24)23-17-7-5-4-6-8-17/h9-14,17H,4-8,15H2,1-3H3,(H,23,24)
InChIKeyMHNOFMUMNWXAMR-UHFFFAOYSA-N
XLogP5.22
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
N-cyclopropyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455418
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
CID 22683768
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[(4-tert-butylphenoxy)methyl]furan-2-carboxamide
CID 91948491
N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458831
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 46476770

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide (CID 998142) is 5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide is CC(C)(C)c1ccc(OCc2ccc(C(=O)NC3CCCCC3)o2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide?
The InChIKey is MHNOFMUMNWXAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-22(2,3)16-9-11-18(12-10-16)25-15-19-13-14-20(26-19)21(24)23-17-7-5-4-6-8-17/h9-14,17H,4-8,15H2,1-3H3,(H,23,24).
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide?
5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 5.22, 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-cyclohexylfuran-2-carboxamide is sourced from PubChem (CID 998142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).