2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide

C15H16N2O2 — CID 6893777

IUPAC2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
SMILESCc1cccc(/C=N/NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C15H16N2O2/c1-10-5-4-6-13(7-10)9-16-17-15(18)14-8-11(2)19-12(14)3/h4-9H,1-3H3,(H,17,18)/b16-9+
InChIKeyCLDHZCMBQCUPLR-CXUHLZMHSA-N
MW256.31 g/mol
LogP2.97
Rot. Bonds3

About 2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide

2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide (PubChem CID 6893777) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
PubChem CID6893777
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
SMILESCc1cccc(/C=N/NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C15H16N2O2/c1-10-5-4-6-13(7-10)9-16-17-15(18)14-8-11(2)19-12(14)3/h4-9H,1-3H3,(H,17,18)/b16-9+
InChIKeyCLDHZCMBQCUPLR-CXUHLZMHSA-N
XLogP2.97
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.97
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

4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6893767
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide
CID 5223464
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6892831
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6907981
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764
methyl 4-[(Z)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoate
CID 5402097
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331
N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760412
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5413783
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755
N-[(Z)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5412703

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide (CID 6893777) is 2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide is Cc1cccc(/C=N/NC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide?
The InChIKey is CLDHZCMBQCUPLR-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-5-4-6-13(7-10)9-16-17-15(18)14-8-11(2)19-12(14)3/h4-9H,1-3H3,(H,17,18)/b16-9+.
What are the key properties of 2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide?
2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide is sourced from PubChem (CID 6893777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).