N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide

C35H36N4O4 — CID 6089663

IUPACN,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C\c1ccccc1OCc1ccccc1)N/N=C\c1ccccc1OCc1ccccc1
InChIInChI=1S/C35H36N4O4/c40-34(38-36-24-30-18-10-12-20-32(30)42-26-28-14-4-1-5-15-28)22-8-3-9-23-35(41)39-37-25-31-19-11-13-21-33(31)43-27-29-16-6-2-7-17-29/h1-2,4-7,10-21,24-25H,3,8-9,22-23,26-27H2,(H,38,40)(H,39,41)/b36-24-,37-25-
InChIKeyPCMGMWIUGOSVEJ-GPEZSHSTSA-N
MW576.70 g/mol
LogP6.40
Rot. Bonds16

About N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide

N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide (PubChem CID 6089663) has the molecular formula C35H36N4O4 and a molecular weight of 576.70 g/mol. Its IUPAC name is N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
PubChem CID6089663
Molecular FormulaC35H36N4O4
Molecular Weight576.70 g/mol
Exact Mass576.27
IUPAC NameN,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C\c1ccccc1OCc1ccccc1)N/N=C\c1ccccc1OCc1ccccc1
InChIInChI=1S/C35H36N4O4/c40-34(38-36-24-30-18-10-12-20-32(30)42-26-28-14-4-1-5-15-28)22-8-3-9-23-35(41)39-37-25-31-19-11-13-21-33(31)43-27-29-16-6-2-7-17-29/h1-2,4-7,10-21,24-25H,3,8-9,22-23,26-27H2,(H,38,40)(H,39,41)/b36-24-,37-25-
InChIKeyPCMGMWIUGOSVEJ-GPEZSHSTSA-N
XLogP6.40
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625
N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
CID 51062342
N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6263316
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
CID 3543860
N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3289635
N-(4-iodophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 46502393
N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3297104
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 4009755
[2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3282649
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
2-(benzotriazol-2-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 5497892

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide?
The IUPAC name of N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide (CID 6089663) is N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide.
What is the SMILES notation for N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide?
The canonical SMILES for N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide is O=C(CCCCCC(=O)N/N=C\c1ccccc1OCc1ccccc1)N/N=C\c1ccccc1OCc1ccccc1.
What is the InChIKey of N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide?
The InChIKey is PCMGMWIUGOSVEJ-GPEZSHSTSA-N. The full InChI is InChI=1S/C35H36N4O4/c40-34(38-36-24-30-18-10-12-20-32(30)42-26-28-14-4-1-5-15-28)22-8-3-9-23-35(41)39-37-25-31-19-11-13-21-33(31)43-27-29-16-6-2-7-17-29/h1-2,4-7,10-21,24-25H,3,8-9,22-23,26-27H2,(H,38,40)(H,39,41)/b36-24-,37-25-.
What are the key properties of N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide?
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide has a molecular weight of 576.70 g/mol, XLogP of 6.40, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide is sourced from PubChem (CID 6089663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).