N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide

C21H24N4O4 — CID 6861549

IUPACN,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
SMILESCOc1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24N4O4/c1-28-18-10-6-16(7-11-18)14-22-24-20(26)4-3-5-21(27)25-23-15-17-8-12-19(29-2)13-9-17/h6-15H,3-5H2,1-2H3,(H,24,26)(H,25,27)/b22-14+,23-15+
InChIKeyFCLFZMTZAVGGJN-HOFJZWJUSA-N
MW396.45 g/mol
LogP2.47
Rot. Bonds10

About N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide

N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide (PubChem CID 6861549) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
PubChem CID6861549
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
SMILESCOc1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24N4O4/c1-28-18-10-6-16(7-11-18)14-22-24-20(26)4-3-5-21(27)25-23-15-17-8-12-19(29-2)13-9-17/h6-15H,3-5H2,1-2H3,(H,24,26)(H,25,27)/b22-14+,23-15+
InChIKeyFCLFZMTZAVGGJN-HOFJZWJUSA-N
XLogP2.47
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
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,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
CID 3489457
N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide
CID 171817090
methyl 4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 4599912
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
N-[3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3254883
N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3286150
N-(2-bromophenyl)-N'-[(Z)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6018291
4-(4-methoxy-2-methylphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]butanamide
CID 5394009

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide?
The IUPAC name of N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide (CID 6861549) is N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide.
What is the SMILES notation for N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide?
The canonical SMILES for N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide is COc1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide?
The InChIKey is FCLFZMTZAVGGJN-HOFJZWJUSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-28-18-10-6-16(7-11-18)14-22-24-20(26)4-3-5-21(27)25-23-15-17-8-12-19(29-2)13-9-17/h6-15H,3-5H2,1-2H3,(H,24,26)(H,25,27)/b22-14+,23-15+.
What are the key properties of N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide?
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide has a molecular weight of 396.45 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide is sourced from PubChem (CID 6861549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).