2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide

C17H22N2O2 — CID 8518721

IUPAC2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide
SMILESC=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2cc(C)oc2C)C1
InChIInChI=1S/C17H22N2O2/c1-10(2)14-7-6-11(3)16(9-14)18-19-17(20)15-8-12(4)21-13(15)5/h6,8,14H,1,7,9H2,2-5H3,(H,19,20)/b18-16-/t14-/m0/s1
InChIKeyQBABMSZDRLFIFQ-HFUDNHEJSA-N
MW286.38 g/mol
LogP3.91
Rot. Bonds3

About 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide

2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide (PubChem CID 8518721) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide
PubChem CID8518721
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide
SMILESC=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2cc(C)oc2C)C1
InChIInChI=1S/C17H22N2O2/c1-10(2)14-7-6-11(3)16(9-14)18-19-17(20)15-8-12(4)21-13(15)5/h6,8,14H,1,7,9H2,2-5H3,(H,19,20)/b18-16-/t14-/m0/s1
InChIKeyQBABMSZDRLFIFQ-HFUDNHEJSA-N
XLogP3.91
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
2,5-Dimethylfuran-3-carbohydrazide
CID 2360209
2,5-dimethyl-N'-[(1E)-1-(naphthalen-2-yl)ethylidene]furan-3-carbohydrazide
CID 9638589
2,5-dimethyl-N'-(2-phenylpentanoyl)furan-3-carbohydrazide
CID 4355478
2,5-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6878417
2-methyl-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]furan-3-carbohydrazide
CID 6878947
N'-[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]-2,5-dimethylfuran-3-carbohydrazide
CID 6861729
Cyclohexanecarboxylic acid N'-(2-methyl-furan-3-carbonyl)-hydrazide
CID 846329
N-(1,3-diphenylpropan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
CID 3290781
2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]furan-3-carboxamide
CID 4573044
N'-[1-(1-adamantyl)ethylidene]-2-methyl-3-furohydrazide
CID 5342171
(E)-2,5-dimethyl-N'-((Z)-2-methyl-3-phenylallylidene)furan-3-carbohydrazide
CID 5395179

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide (CID 8518721) is 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide is C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2cc(C)oc2C)C1.
What is the InChIKey of 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide?
The InChIKey is QBABMSZDRLFIFQ-HFUDNHEJSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10(2)14-7-6-11(3)16(9-14)18-19-17(20)15-8-12(4)21-13(15)5/h6,8,14H,1,7,9H2,2-5H3,(H,19,20)/b18-16-/t14-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide?
2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide is sourced from PubChem (CID 8518721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).