N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide

C18H24N2O2 — CID 5342171

IUPACN-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O2/c1-11-16(3-4-22-11)17(21)20-19-12(2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-10H2,1-2H3,(H,20,21)/b19-12-
InChIKeyCMEOUOHPYJOVIE-UNOMPAQXSA-N
MW300.40 g/mol
LogP3.91
Rot. Bonds3

About N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 5342171) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide
PubChem CID5342171
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O2/c1-11-16(3-4-22-11)17(21)20-19-12(2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-10H2,1-2H3,(H,20,21)/b19-12-
InChIKeyCMEOUOHPYJOVIE-UNOMPAQXSA-N
XLogP3.91
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide (CID 5342171) is N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide is C/C(=N/NC(=O)c1ccoc1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is CMEOUOHPYJOVIE-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-16(3-4-22-11)17(21)20-19-12(2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-10H2,1-2H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 300.40 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 N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 5342171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).