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

C20H22N4O4 — CID 6869271

IUPACN,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N4O4/c1-27-17-7-3-15(4-8-17)13-21-23-19(25)11-12-20(26)24-22-14-16-5-9-18(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)/b21-13+,22-14+
InChIKeyQFWRSXSKGIWAFC-JFMUQQRKSA-N
MW382.42 g/mol
LogP2.08
Rot. Bonds9

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

N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide (PubChem CID 6869271) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
PubChem CID6869271
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N4O4/c1-27-17-7-3-15(4-8-17)13-21-23-19(25)11-12-20(26)24-22-14-16-5-9-18(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)/b21-13+,22-14+
InChIKeyQFWRSXSKGIWAFC-JFMUQQRKSA-N
XLogP2.08
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.08
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]pentanediamide
CID 6861549
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
methyl 4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 4599912
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3286150
N-(2-bromophenyl)-N'-[(Z)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6018291
N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide
CID 171817090
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
N-[3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3254883
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4537562

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide (CID 6869271) is N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide is COc1ccc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide?
The InChIKey is QFWRSXSKGIWAFC-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-27-17-7-3-15(4-8-17)13-21-23-19(25)11-12-20(26)24-22-14-16-5-9-18(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)/b21-13+,22-14+.
What are the key properties of N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide?
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide has a molecular weight of 382.42 g/mol, XLogP of 2.08, 9 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]butanediamide is sourced from PubChem (CID 6869271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).