5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide

C23H34N2O2 — CID 3669534

IUPAC5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide
SMILESCc1ccc(CN(Cc2ccc(C(=O)NC(C)C(C)C)o2)C(C)(C)C)cc1
InChIInChI=1S/C23H34N2O2/c1-16(2)18(4)24-22(26)21-13-12-20(27-21)15-25(23(5,6)7)14-19-10-8-17(3)9-11-19/h8-13,16,18H,14-15H2,1-7H3,(H,24,26)
InChIKeyBLUOLXKFMIITKF-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.16
Rot. Bonds7

About 5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide

5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide (PubChem CID 3669534) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide
PubChem CID3669534
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide
SMILESCc1ccc(CN(Cc2ccc(C(=O)NC(C)C(C)C)o2)C(C)(C)C)cc1
InChIInChI=1S/C23H34N2O2/c1-16(2)18(4)24-22(26)21-13-12-20(27-21)15-25(23(5,6)7)14-19-10-8-17(3)9-11-19/h8-13,16,18H,14-15H2,1-7H3,(H,24,26)
InChIKeyBLUOLXKFMIITKF-UHFFFAOYSA-N
XLogP5.16
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903
5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 7417815
5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42750878
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
5-[[tert-butyl(ethyl)amino]methyl]furan-2-carbonyl chloride
CID 82041725
1-[4-[5-[[benzyl(tert-butyl)amino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 3987146
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
5-[[(3,4-dimethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide
CID 42751023
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 93054886

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide (CID 3669534) is 5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide is Cc1ccc(CN(Cc2ccc(C(=O)NC(C)C(C)C)o2)C(C)(C)C)cc1.
What is the InChIKey of 5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide?
The InChIKey is BLUOLXKFMIITKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-16(2)18(4)24-22(26)21-13-12-20(27-21)15-25(23(5,6)7)14-19-10-8-17(3)9-11-19/h8-13,16,18H,14-15H2,1-7H3,(H,24,26).
What are the key properties of 5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide?
5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 3669534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).