N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide

C22H22N2O2 — CID 3290781

IUPACN-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)c(C)o1
InChIInChI=1S/C22H22N2O2/c1-16-13-21(17(2)26-16)22(25)24-23-20(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-13H,14-15H2,1-2H3,(H,24,25)
InChIKeyLGMXHOBKIOCNOU-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.47
Rot. Bonds6

About N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide

N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide (PubChem CID 3290781) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
PubChem CID3290781
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)c(C)o1
InChIInChI=1S/C22H22N2O2/c1-16-13-21(17(2)26-16)22(25)24-23-20(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-13H,14-15H2,1-2H3,(H,24,25)
InChIKeyLGMXHOBKIOCNOU-UHFFFAOYSA-N
XLogP4.47
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(E)-1-phenylethylideneamino]furan-3-carboxamide
CID 5421742
N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-2-methylfuran-3-carbohydrazide
CID 135643715
2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 6878689
N'-[(E)-biphenyl-4-ylmethylidene]-2-methylfuran-3-carbohydrazide
CID 6878959
2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 6880356
2,5-dimethyl-N'-[(1E)-1-(naphthalen-2-yl)ethylidene]furan-3-carbohydrazide
CID 9638589
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2122451
2,5-dimethyl-N'-(2-phenylpentanoyl)furan-3-carbohydrazide
CID 4355478
2,5-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6878417
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7478965
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468210
2-methyl-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]furan-3-carbohydrazide
CID 6878947

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide (CID 3290781) is N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)c(C)o1.
What is the InChIKey of N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is LGMXHOBKIOCNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-13-21(17(2)26-16)22(25)24-23-20(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-13H,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide?
N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 3290781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).