N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide

C28H34N10O6 — CID 135810850

IUPACN,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide
SMILESCCCn1c(O)c(/N=N/C(=O)CC(=O)/N=N/c2c(O)n(CCC)c3ccccc23)c2ccccc21.NNC(=O)CC(=O)NN
InChIInChI=1S/C25H26N6O4.C3H8N4O2/c1-3-13-30-18-11-7-5-9-16(18)22(24(30)34)28-26-20(32)15-21(33)27-29-23-17-10-6-8-12-19(17)31(14-4-2)25(23)35;4-6-2(8)1-3(9)7-5/h5-12,34-35H,3-4,13-15H2,1-2H3;1,4-5H2,(H,6,8)(H,7,9)/b28-26+,29-27+;
InChIKeyLMEKEYMJLOTXRL-JBQZZDHSSA-N
MW606.64 g/mol
LogP3.49
Rot. Bonds10

About N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide

N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide (PubChem CID 135810850) has the molecular formula C28H34N10O6 and a molecular weight of 606.64 g/mol. Its IUPAC name is N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide.

Molecular Properties

Compound NameN,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide
PubChem CID135810850
Molecular FormulaC28H34N10O6
Molecular Weight606.64 g/mol
Exact Mass606.27
IUPAC NameN,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide
SMILESCCCn1c(O)c(/N=N/C(=O)CC(=O)/N=N/c2c(O)n(CCC)c3ccccc23)c2ccccc21.NNC(=O)CC(=O)NN
InChIInChI=1S/C25H26N6O4.C3H8N4O2/c1-3-13-30-18-11-7-5-9-16(18)22(24(30)34)28-26-20(32)15-21(33)27-29-23-17-10-6-8-12-19(17)31(14-4-2)25(23)35;4-6-2(8)1-3(9)7-5/h5-12,34-35H,3-4,13-15H2,1-2H3;1,4-5H2,(H,6,8)(H,7,9)/b28-26+,29-27+;
InChIKeyLMEKEYMJLOTXRL-JBQZZDHSSA-N
XLogP3.49
TPSA244.14 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.64
LogP ≤ 53.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
3-(furan-2-yl)-N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]prop-2-enamide
CID 3785636
N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1390932
[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium
CID 135754966
N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4630970
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium
CID 135739771
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-(2-hydroxy-1-propylindol-3-yl)iminocyclopropane-1-carboxamide
CID 137231616
tert-butyl N-(1-hexyl-2-hydroxyindol-3-yl)iminocarbamate
CID 135881483

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide?
The IUPAC name of N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide (CID 135810850) is N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide.
What is the SMILES notation for N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide?
The canonical SMILES for N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide is CCCn1c(O)c(/N=N/C(=O)CC(=O)/N=N/c2c(O)n(CCC)c3ccccc23)c2ccccc21.NNC(=O)CC(=O)NN.
What is the InChIKey of N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide?
The InChIKey is LMEKEYMJLOTXRL-JBQZZDHSSA-N. The full InChI is InChI=1S/C25H26N6O4.C3H8N4O2/c1-3-13-30-18-11-7-5-9-16(18)22(24(30)34)28-26-20(32)15-21(33)27-29-23-17-10-6-8-12-19(17)31(14-4-2)25(23)35;4-6-2(8)1-3(9)7-5/h5-12,34-35H,3-4,13-15H2,1-2H3;1,4-5H2,(H,6,8)(H,7,9)/b28-26+,29-27+;.
What are the key properties of N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide?
N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide has a molecular weight of 606.64 g/mol, XLogP of 3.49, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide is sourced from PubChem (CID 135810850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).