N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride

C31H44Cl4N6O5 — CID 25230520

IUPACN-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride
SMILESCC(=O)c1cc(/N=C(/CCCCCCCCC(=O)Nc2cc(C(C)=O)cc(C(C)=O)c2)NN=C(N)N)cc(C(C)=O)c1.Cl.Cl.Cl.Cl
InChIInChI=1S/C31H40N6O5.4ClH/c1-19(38)23-13-24(20(2)39)16-27(15-23)34-29(36-37-31(32)33)11-9-7-5-6-8-10-12-30(42)35-28-17-25(21(3)40)14-26(18-28)22(4)41;;;;/h13-18H,5-12H2,1-4H3,(H,34,36)(H,35,42)(H4,32,33,37);4*1H
InChIKeyCKOWUWUURCVWDM-UHFFFAOYSA-N
MW722.54 g/mol
LogP6.75
Rot. Bonds16

About N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride

N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride (PubChem CID 25230520) has the molecular formula C31H44Cl4N6O5 and a molecular weight of 722.54 g/mol. Its IUPAC name is N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride.

Molecular Properties

Compound NameN-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride
PubChem CID25230520
Molecular FormulaC31H44Cl4N6O5
Molecular Weight722.54 g/mol
Exact Mass720.21
IUPAC NameN-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride
SMILESCC(=O)c1cc(/N=C(/CCCCCCCCC(=O)Nc2cc(C(C)=O)cc(C(C)=O)c2)NN=C(N)N)cc(C(C)=O)c1.Cl.Cl.Cl.Cl
InChIInChI=1S/C31H40N6O5.4ClH/c1-19(38)23-13-24(20(2)39)16-27(15-23)34-29(36-37-31(32)33)11-9-7-5-6-8-10-12-30(42)35-28-17-25(21(3)40)14-26(18-28)22(4)41;;;;/h13-18H,5-12H2,1-4H3,(H,34,36)(H,35,42)(H4,32,33,37);4*1H
InChIKeyCKOWUWUURCVWDM-UHFFFAOYSA-N
XLogP6.75
TPSA186.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.54
LogP ≤ 56.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride?
The IUPAC name of N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride (CID 25230520) is N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride.
What is the SMILES notation for N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride?
The canonical SMILES for N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride is CC(=O)c1cc(/N=C(/CCCCCCCCC(=O)Nc2cc(C(C)=O)cc(C(C)=O)c2)NN=C(N)N)cc(C(C)=O)c1.Cl.Cl.Cl.Cl.
What is the InChIKey of N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride?
The InChIKey is CKOWUWUURCVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O5.4ClH/c1-19(38)23-13-24(20(2)39)16-27(15-23)34-29(36-37-31(32)33)11-9-7-5-6-8-10-12-30(42)35-28-17-25(21(3)40)14-26(18-28)22(4)41;;;;/h13-18H,5-12H2,1-4H3,(H,34,36)(H,35,42)(H4,32,33,37);4*1H.
What are the key properties of N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride?
N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride has a molecular weight of 722.54 g/mol, XLogP of 6.75, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diacetylphenyl)-10-(3,5-diacetylphenyl)imino-10-[2-(diaminomethylidene)hydrazinyl]decanamide;tetrahydrochloride is sourced from PubChem (CID 25230520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).