1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide

C38H38N4O6 — CID 175112992

IUPAC1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide
SMILESO=C(NN(C(=O)CCCCCCCCC(=O)N(NC(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C38H38N4O6/c43-33(41(37(47)31-23-13-7-14-24-31)39-35(45)29-19-9-5-10-20-29)27-17-3-1-2-4-18-28-34(44)42(38(48)32-25-15-8-16-26-32)40-36(46)30-21-11-6-12-22-30/h5-16,19-26H,1-4,17-18,27-28H2,(H,39,45)(H,40,46)
InChIKeyNNIWRVUQICJKAT-UHFFFAOYSA-N
MW646.74 g/mol
LogP6.14
Rot. Bonds13

About 1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide

1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide (PubChem CID 175112992) has the molecular formula C38H38N4O6 and a molecular weight of 646.74 g/mol. Its IUPAC name is 1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide.

Molecular Properties

Compound Name1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide
PubChem CID175112992
Molecular FormulaC38H38N4O6
Molecular Weight646.74 g/mol
Exact Mass646.28
IUPAC Name1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide
SMILESO=C(NN(C(=O)CCCCCCCCC(=O)N(NC(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C38H38N4O6/c43-33(41(37(47)31-23-13-7-14-24-31)39-35(45)29-19-9-5-10-20-29)27-17-3-1-2-4-18-28-34(44)42(38(48)32-25-15-8-16-26-32)40-36(46)30-21-11-6-12-22-30/h5-16,19-26H,1-4,17-18,27-28H2,(H,39,45)(H,40,46)
InChIKeyNNIWRVUQICJKAT-UHFFFAOYSA-N
XLogP6.14
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.74
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 175312357
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10-N',10-N'-dibenzoyldecanedihydrazide
CID 175365921
N'-tert-butyl-N'-undecanoylbenzohydrazide
CID 67922028
N'-tert-butyl-N'-decanoylbenzohydrazide
CID 67921881
N',N'-dibenzamidobenzohydrazide
CID 91211036
4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid
CID 154425317
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
N,N-dimethyl-8-oxo-8-phenyloctanamide
CID 58982119
N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide
CID 4208785
1,15-diphenylpentadecane-1,15-dione
CID 159981687
N',N'-dimethylbenzohydrazide;hydrochloride
CID 131848151

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide?
The IUPAC name of 1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide (CID 175112992) is 1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide.
What is the SMILES notation for 1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide?
The canonical SMILES for 1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide is O=C(NN(C(=O)CCCCCCCCC(=O)N(NC(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide?
The InChIKey is NNIWRVUQICJKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N4O6/c43-33(41(37(47)31-23-13-7-14-24-31)39-35(45)29-19-9-5-10-20-29)27-17-3-1-2-4-18-28-34(44)42(38(48)32-25-15-8-16-26-32)40-36(46)30-21-11-6-12-22-30/h5-16,19-26H,1-4,17-18,27-28H2,(H,39,45)(H,40,46).
What are the key properties of 1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide?
1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide has a molecular weight of 646.74 g/mol, XLogP of 6.14, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide is sourced from PubChem (CID 175112992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).