1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide

C34H34N4O4 — CID 3770806

IUPAC1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide
SMILESO=C(CCCCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H34N4O4/c39-29(35-37-33(41)31(25-15-5-1-6-16-25)26-17-7-2-8-18-26)23-13-14-24-30(40)36-38-34(42)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,31-32H,13-14,23-24H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42)
InChIKeyNLFKFCHCNCCCDB-UHFFFAOYSA-N
MW562.67 g/mol
LogP4.51
Rot. Bonds11

About 1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide

1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide (PubChem CID 3770806) has the molecular formula C34H34N4O4 and a molecular weight of 562.67 g/mol. Its IUPAC name is 1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide.

Molecular Properties

Compound Name1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide
PubChem CID3770806
Molecular FormulaC34H34N4O4
Molecular Weight562.67 g/mol
Exact Mass562.26
IUPAC Name1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide
SMILESO=C(CCCCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H34N4O4/c39-29(35-37-33(41)31(25-15-5-1-6-16-25)26-17-7-2-8-18-26)23-13-14-24-30(40)36-38-34(42)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,31-32H,13-14,23-24H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42)
InChIKeyNLFKFCHCNCCCDB-UHFFFAOYSA-N
XLogP4.51
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.67
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
CID 5120284
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013
N'-[2-(2-oxo-1-pyridinyl)acetyl]-2,2-diphenylacetohydrazide
CID 9077513
N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
CID 3434978
[(2,2-diphenylacetyl)amino]thiourea
CID 12636581
N'-[2-(4-methylphenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 4635694
N'-(2,2-diphenylacetyl)-2,2-dimethylpropanehydrazide
CID 4927491
benzyl N-[(2,2-diphenylacetyl)amino]carbamate
CID 4935805
N'-(2-indol-1-ylacetyl)-2,2-diphenylacetohydrazide
CID 17080273
N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-methylpropanamide
CID 4923946
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-2,2-diphenylacetohydrazide
CID 55416475
2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide
CID 9468304

Frequently Asked Questions

What is the IUPAC name of 1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide?
The IUPAC name of 1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide (CID 3770806) is 1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide.
What is the SMILES notation for 1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide?
The canonical SMILES for 1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide is O=C(CCCCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide?
The InChIKey is NLFKFCHCNCCCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O4/c39-29(35-37-33(41)31(25-15-5-1-6-16-25)26-17-7-2-8-18-26)23-13-14-24-30(40)36-38-34(42)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,31-32H,13-14,23-24H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42).
What are the key properties of 1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide?
1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide has a molecular weight of 562.67 g/mol, XLogP of 4.51, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide is sourced from PubChem (CID 3770806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).