N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide

C16H16N2O2 — CID 6185796

IUPACN-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C2/CCc3ccccc32)c(C)o1
InChIInChI=1S/C16H16N2O2/c1-10-9-14(11(2)20-10)16(19)18-17-15-8-7-12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3,(H,18,19)/b17-15-
InChIKeyOYINUKBMIZOCCE-ICFOKQHNSA-N
MW268.32 g/mol
LogP2.98
Rot. Bonds2

About N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 6185796) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID6185796
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C2/CCc3ccccc32)c(C)o1
InChIInChI=1S/C16H16N2O2/c1-10-9-14(11(2)20-10)16(19)18-17-15-8-7-12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3,(H,18,19)/b17-15-
InChIKeyOYINUKBMIZOCCE-ICFOKQHNSA-N
XLogP2.98
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.98
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-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide
CID 7929165
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
CID 6525291
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6520422
N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
CID 8518796
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 6536301
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide
CID 6529503
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 6185796) is N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N/N=C2/CCc3ccccc32)c(C)o1.
What is the InChIKey of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is OYINUKBMIZOCCE-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-9-14(11(2)20-10)16(19)18-17-15-8-7-12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3,(H,18,19)/b17-15-.
What are the key properties of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 6185796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).