2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide

C26H24N4O3 — CID 3419131

IUPAC2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
SMILESO=C(NN=C1CCCc2ccccc21)c1ccc(C(=O)NN=C2CCCc3ccccc32)o1
InChIInChI=1S/C26H24N4O3/c31-25(29-27-21-13-5-9-17-7-1-3-11-19(17)21)23-15-16-24(33-23)26(32)30-28-22-14-6-10-18-8-2-4-12-20(18)22/h1-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,(H,29,31)(H,30,32)
InChIKeyRBKHJKJPOVDEEQ-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.22
Rot. Bonds4

About 2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide

2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide (PubChem CID 3419131) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
PubChem CID3419131
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
SMILESO=C(NN=C1CCCc2ccccc21)c1ccc(C(=O)NN=C2CCCc3ccccc32)o1
InChIInChI=1S/C26H24N4O3/c31-25(29-27-21-13-5-9-17-7-1-3-11-19(17)21)23-15-16-24(33-23)26(32)30-28-22-14-6-10-18-8-2-4-12-20(18)22/h1-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,(H,29,31)(H,30,32)
InChIKeyRBKHJKJPOVDEEQ-UHFFFAOYSA-N
XLogP4.22
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.22
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

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 6536301
2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 3411206
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
CID 6525291
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
CID 840700
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxy-2-phenylacetamide
CID 2851357
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide
CID 98192372
4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 5419553
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide
CID 27493701
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide (CID 3419131) is 2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide is O=C(NN=C1CCCc2ccccc21)c1ccc(C(=O)NN=C2CCCc3ccccc32)o1.
What is the InChIKey of 2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide?
The InChIKey is RBKHJKJPOVDEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-25(29-27-21-13-5-9-17-7-1-3-11-19(17)21)23-15-16-24(33-23)26(32)30-28-22-14-6-10-18-8-2-4-12-20(18)22/h1-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,(H,29,31)(H,30,32).
What are the key properties of 2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide?
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.22, 4 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(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide is sourced from PubChem (CID 3419131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).