5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide

C16H18N2O5 — CID 4181071

IUPAC5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1cc(OC)c(OC)cc1C=NNC(=O)c1ccc(C)o1
InChIInChI=1S/C16H18N2O5/c1-10-5-6-12(23-10)16(19)18-17-9-11-7-14(21-3)15(22-4)8-13(11)20-2/h5-9H,1-4H3,(H,18,19)
InChIKeyMPEKXUKXYOXEBA-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.38
Rot. Bonds6

About 5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide

5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 4181071) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID4181071
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1cc(OC)c(OC)cc1C=NNC(=O)c1ccc(C)o1
InChIInChI=1S/C16H18N2O5/c1-10-5-6-12(23-10)16(19)18-17-9-11-7-14(21-3)15(22-4)8-13(11)20-2/h5-9H,1-4H3,(H,18,19)
InChIKeyMPEKXUKXYOXEBA-UHFFFAOYSA-N
XLogP2.38
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 126037543
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122771
5,7-dibromo-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376244
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 135590172
2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4583740
N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 963063
3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6911462
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464
3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 126059607
5-methyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 5427041
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852
N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6866321

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide (CID 4181071) is 5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide is COc1cc(OC)c(OC)cc1C=NNC(=O)c1ccc(C)o1.
What is the InChIKey of 5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is MPEKXUKXYOXEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-10-5-6-12(23-10)16(19)18-17-9-11-7-14(21-3)15(22-4)8-13(11)20-2/h5-9H,1-4H3,(H,18,19).
What are the key properties of 5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide?
5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 4181071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).