N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide

C18H24N2O2 — CID 18274046

IUPACN-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide
SMILESC/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccco1
InChIInChI=1S/C18H24N2O2/c1-12(19-20-17(21)16-3-2-4-22-16)8-18-9-13-5-14(10-18)7-15(6-13)11-18/h2-4,13-15H,5-11H2,1H3,(H,20,21)/b19-12+
InChIKeyZKVWIUJWYLOHFD-XDHOZWIPSA-N
MW300.40 g/mol
LogP3.99
Rot. Bonds4

About N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide

N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide (PubChem CID 18274046) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide
PubChem CID18274046
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide
SMILESC/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccco1
InChIInChI=1S/C18H24N2O2/c1-12(19-20-17(21)16-3-2-4-22-16)8-18-9-13-5-14(10-18)7-15(6-13)11-18/h2-4,13-15H,5-11H2,1H3,(H,20,21)/b19-12+
InChIKeyZKVWIUJWYLOHFD-XDHOZWIPSA-N
XLogP3.99
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.99
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

N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide
CID 9071087
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 4307620
N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 6369739
N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 3606991
N-[1-(1-adamantyl)propan-2-ylideneamino]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 3461184
N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 3101336
N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methylphenyl]furan-2-carboxamide
CID 3579640
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[1-[(1R,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]ethylideneamino]furan-2-carboxamide
CID 129439556
N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 26285211
N-[(E)-[4-(2-chloroanilino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 5344897

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide (CID 18274046) is N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide is C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccco1.
What is the InChIKey of N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide?
The InChIKey is ZKVWIUJWYLOHFD-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(19-20-17(21)16-3-2-4-22-16)8-18-9-13-5-14(10-18)7-15(6-13)11-18/h2-4,13-15H,5-11H2,1H3,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide?
N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide is sourced from PubChem (CID 18274046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).