2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide

C14H20N4O3 — CID 4614980

IUPAC2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide
SMILESCC(C)C=NNC(=O)c1ccc(C(=O)NN=CC(C)C)o1
InChIInChI=1S/C14H20N4O3/c1-9(2)7-15-17-13(19)11-5-6-12(21-11)14(20)18-16-8-10(3)4/h5-10H,1-4H3,(H,17,19)(H,18,20)
InChIKeyJZYFHFZTHQSVCW-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.02
Rot. Bonds6

About 2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide

2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide (PubChem CID 4614980) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide
PubChem CID4614980
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide
SMILESCC(C)C=NNC(=O)c1ccc(C(=O)NN=CC(C)C)o1
InChIInChI=1S/C14H20N4O3/c1-9(2)7-15-17-13(19)11-5-6-12(21-11)14(20)18-16-8-10(3)4/h5-10H,1-4H3,(H,17,19)(H,18,20)
InChIKeyJZYFHFZTHQSVCW-UHFFFAOYSA-N
XLogP2.02
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide
CID 4195211
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735
2-methyl-N-(2-methylpropylideneamino)benzamide
CID 4623987
2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide
CID 74935568
2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 6161327
4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide
CID 172935100
5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide
CID 27519009
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
4-methyl-N-(2-methylpropylideneamino)-3-nitrobenzamide
CID 5112542
2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4583740
2-hydroxy-N-(2-methylpropylideneamino)-2,2-diphenylacetamide
CID 4547261
1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide
CID 156653428

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide (CID 4614980) is 2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide is CC(C)C=NNC(=O)c1ccc(C(=O)NN=CC(C)C)o1.
What is the InChIKey of 2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide?
The InChIKey is JZYFHFZTHQSVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(2)7-15-17-13(19)11-5-6-12(21-11)14(20)18-16-8-10(3)4/h5-10H,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide?
2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide is sourced from PubChem (CID 4614980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).