2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide

C13H20N2O2 — CID 6175255

IUPAC2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide
SMILESC/C(CC(C)C)=N/NC(=O)c1cc(C)oc1C
InChIInChI=1S/C13H20N2O2/c1-8(2)6-9(3)14-15-13(16)12-7-10(4)17-11(12)5/h7-8H,6H2,1-5H3,(H,15,16)/b14-9-
InChIKeyFSQGBOXBRFFMDO-ZROIWOOFSA-N
MW236.31 g/mol
LogP3.05
Rot. Bonds4

About 2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide

2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide (PubChem CID 6175255) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide
PubChem CID6175255
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide
SMILESC/C(CC(C)C)=N/NC(=O)c1cc(C)oc1C
InChIInChI=1S/C13H20N2O2/c1-8(2)6-9(3)14-15-13(16)12-7-10(4)17-11(12)5/h7-8H,6H2,1-5H3,(H,15,16)/b14-9-
InChIKeyFSQGBOXBRFFMDO-ZROIWOOFSA-N
XLogP3.05
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.05
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-(hexan-2-ylideneamino)-2,5-dimethylfuran-3-carboxamide
CID 5149450
4-chloro-2-hydroxy-N-[(E)-4-methylpentan-2-ylideneamino]benzamide
CID 7430588
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
2,5-dimethyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]furan-3-carboxamide
CID 4638299
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide
CID 6371445
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 46799495
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048
2,5-dimethyl-N,N-bis(2-methylpropyl)furan-3-carboxamide
CID 86978108
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide
CID 9120771

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide (CID 6175255) is 2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide is C/C(CC(C)C)=N/NC(=O)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide?
The InChIKey is FSQGBOXBRFFMDO-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)6-9(3)14-15-13(16)12-7-10(4)17-11(12)5/h7-8H,6H2,1-5H3,(H,15,16)/b14-9-.
What are the key properties of 2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide?
2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 3.05, 4 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)-4-methylpentan-2-ylideneamino]furan-3-carboxamide is sourced from PubChem (CID 6175255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).