2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide

C28H20N4O5 — CID 4670148

IUPAC2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
SMILESO=C(NN=Cc1ccc2ccccc2c1O)c1ccc(C(=O)NN=Cc2ccc3ccccc3c2O)o1
InChIInChI=1S/C28H20N4O5/c33-25-19(11-9-17-5-1-3-7-21(17)25)15-29-31-27(35)23-13-14-24(37-23)28(36)32-30-16-20-12-10-18-6-2-4-8-22(18)26(20)34/h1-16,33-34H,(H,31,35)(H,32,36)
InChIKeyBKDFAIYEMJQGOR-UHFFFAOYSA-N
MW492.49 g/mol
LogP4.53
Rot. Bonds6

About 2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide

2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide (PubChem CID 4670148) has the molecular formula C28H20N4O5 and a molecular weight of 492.49 g/mol. Its IUPAC name is 2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
PubChem CID4670148
Molecular FormulaC28H20N4O5
Molecular Weight492.49 g/mol
Exact Mass492.14
IUPAC Name2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
SMILESO=C(NN=Cc1ccc2ccccc2c1O)c1ccc(C(=O)NN=Cc2ccc3ccccc3c2O)o1
InChIInChI=1S/C28H20N4O5/c33-25-19(11-9-17-5-1-3-7-21(17)25)15-29-31-27(35)23-13-14-24(37-23)28(36)32-30-16-20-12-10-18-6-2-4-8-22(18)26(20)34/h1-16,33-34H,(H,31,35)(H,32,36)
InChIKeyBKDFAIYEMJQGOR-UHFFFAOYSA-N
XLogP4.53
TPSA136.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,5-N-bis[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 135837519
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide
CID 135605985
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide
CID 4252787
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-2-phenoxyacetamide
CID 4164317
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide
CID 136670478
2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 5177464
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 135752096

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide (CID 4670148) is 2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide is O=C(NN=Cc1ccc2ccccc2c1O)c1ccc(C(=O)NN=Cc2ccc3ccccc3c2O)o1.
What is the InChIKey of 2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide?
The InChIKey is BKDFAIYEMJQGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O5/c33-25-19(11-9-17-5-1-3-7-21(17)25)15-29-31-27(35)23-13-14-24(37-23)28(36)32-30-16-20-12-10-18-6-2-4-8-22(18)26(20)34/h1-16,33-34H,(H,31,35)(H,32,36).
What are the key properties of 2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide?
2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide has a molecular weight of 492.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide is sourced from PubChem (CID 4670148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).