N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide

C13H20N2O2 — CID 5149450

IUPACN-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
SMILESCCCCC(C)=NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C13H20N2O2/c1-5-6-7-9(2)14-15-13(16)12-8-10(3)17-11(12)4/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyIKJBPUDMJTZZNQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.19
Rot. Bonds5

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

N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide (PubChem CID 5149450) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
PubChem CID5149450
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
SMILESCCCCC(C)=NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C13H20N2O2/c1-5-6-7-9(2)14-15-13(16)12-8-10(3)17-11(12)4/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyIKJBPUDMJTZZNQ-UHFFFAOYSA-N
XLogP3.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.19
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

2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide
CID 6175255
N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide
CID 17337785
2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide
CID 12040666
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
N-(hexan-2-ylideneamino)-3-methylbenzamide
CID 5109597
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide
CID 6371445
3-bromo-N-(hexan-2-ylideneamino)-4-methylbenzamide
CID 3260690
2,5-dimethyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]furan-3-carboxamide
CID 4638299
N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135588317
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 46799495

Frequently Asked Questions

What is the IUPAC name of N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide (CID 5149450) is N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide is CCCCC(C)=NNC(=O)c1cc(C)oc1C.
What is the InChIKey of N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is IKJBPUDMJTZZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-6-7-9(2)14-15-13(16)12-8-10(3)17-11(12)4/h8H,5-7H2,1-4H3,(H,15,16).
What are the key properties of N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide?
N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 5149450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).