N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide

C25H20N4O4 — CID 135615439

IUPACN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
SMILESO=C(CC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C25H20N4O4/c30-22-11-9-16-5-1-3-7-18(16)20(22)14-26-28-24(32)13-25(33)29-27-15-21-19-8-4-2-6-17(19)10-12-23(21)31/h1-12,14-15,30-31H,13H2,(H,28,32)(H,29,33)/b26-14+,27-15+
InChIKeyJRPUSPPVUFZSRJ-CIOBDNPFSA-N
MW440.46 g/mol
LogP3.39
Rot. Bonds6

About N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide

N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide (PubChem CID 135615439) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
PubChem CID135615439
Molecular FormulaC25H20N4O4
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC NameN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
SMILESO=C(CC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C25H20N4O4/c30-22-11-9-16-5-1-3-7-18(16)20(22)14-26-28-24(32)13-25(33)29-27-15-21-19-8-4-2-6-17(19)10-12-23(21)31/h1-12,14-15,30-31H,13H2,(H,28,32)(H,29,33)/b26-14+,27-15+
InChIKeyJRPUSPPVUFZSRJ-CIOBDNPFSA-N
XLogP3.39
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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

N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
N-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135613934
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
CID 5068789
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
CID 135738478
N-(3,4-dimethylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135614936
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide?
The IUPAC name of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide (CID 135615439) is N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide.
What is the SMILES notation for N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide?
The canonical SMILES for N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide is O=C(CC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide?
The InChIKey is JRPUSPPVUFZSRJ-CIOBDNPFSA-N. The full InChI is InChI=1S/C25H20N4O4/c30-22-11-9-16-5-1-3-7-18(16)20(22)14-26-28-24(32)13-25(33)29-27-15-21-19-8-4-2-6-17(19)10-12-23(21)31/h1-12,14-15,30-31H,13H2,(H,28,32)(H,29,33)/b26-14+,27-15+.
What are the key properties of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide?
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide has a molecular weight of 440.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide is sourced from PubChem (CID 135615439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).