1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide

C16H26N4O2 — CID 122375032

IUPAC1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide
SMILESCC(C(=O)NN(C)C)C(CC(=O)NN(C)C)c1ccccc1
InChIInChI=1S/C16H26N4O2/c1-12(16(22)18-20(4)5)14(11-15(21)17-19(2)3)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyIKLDVRDTOUNWQP-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.98
Rot. Bonds7

About 1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide

1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide (PubChem CID 122375032) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide.

Molecular Properties

Compound Name1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide
PubChem CID122375032
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide
SMILESCC(C(=O)NN(C)C)C(CC(=O)NN(C)C)c1ccccc1
InChIInChI=1S/C16H26N4O2/c1-12(16(22)18-20(4)5)14(11-15(21)17-19(2)3)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyIKLDVRDTOUNWQP-UHFFFAOYSA-N
XLogP0.98
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 11298492
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CID 3249521
2-methyl-3-phenyl-4-sulfanylbutanoic acid
CID 174651583
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate
CID 58174664
N',N',2,3-tetramethylbutanehydrazide
CID 20658367
3-amino-N',N'-dimethyl-3-pyridin-3-ylpropanehydrazide
CID 116850071
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
4-methyl-3-phenylpentanamide
CID 66616845
2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide
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(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
CID 104984735

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide?
The IUPAC name of 1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide (CID 122375032) is 1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide.
What is the SMILES notation for 1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide?
The canonical SMILES for 1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide is CC(C(=O)NN(C)C)C(CC(=O)NN(C)C)c1ccccc1.
What is the InChIKey of 1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide?
The InChIKey is IKLDVRDTOUNWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(16(22)18-20(4)5)14(11-15(21)17-19(2)3)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3,(H,17,21)(H,18,22).
What are the key properties of 1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide?
1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide has a molecular weight of 306.41 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N',5-N',5-N',2-pentamethyl-3-phenylpentanedihydrazide is sourced from PubChem (CID 122375032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).