5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide

C21H29FN2O2 — CID 42750878

IUPAC5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(CN(Cc2ccccc2F)C(C)(C)C)o1
InChIInChI=1S/C21H29FN2O2/c1-15(2)12-23-20(25)19-11-10-17(26-19)14-24(21(3,4)5)13-16-8-6-7-9-18(16)22/h6-11,15H,12-14H2,1-5H3,(H,23,25)
InChIKeyADUCQKSEMXBLAQ-UHFFFAOYSA-N
MW360.47 g/mol
LogP4.61
Rot. Bonds7

About 5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide

5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 42750878) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID42750878
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(CN(Cc2ccccc2F)C(C)(C)C)o1
InChIInChI=1S/C21H29FN2O2/c1-15(2)12-23-20(25)19-11-10-17(26-19)14-24(21(3,4)5)13-16-8-6-7-9-18(16)22/h6-11,15H,12-14H2,1-5H3,(H,23,25)
InChIKeyADUCQKSEMXBLAQ-UHFFFAOYSA-N
XLogP4.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
(4-benzylpiperidin-1-yl)-[5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]methanone
CID 5126896
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42750686
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3908197
N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455453
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42753699
5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide
CID 3669534
N-(2-methylpropyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 47141529
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate
CID 24715033
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide (CID 42750878) is 5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide is CC(C)CNC(=O)c1ccc(CN(Cc2ccccc2F)C(C)(C)C)o1.
What is the InChIKey of 5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is ADUCQKSEMXBLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-15(2)12-23-20(25)19-11-10-17(26-19)14-24(21(3,4)5)13-16-8-6-7-9-18(16)22/h6-11,15H,12-14H2,1-5H3,(H,23,25).
What are the key properties of 5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide?
5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 360.47 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 42750878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).