5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide

C24H31N3O4 — CID 56520721

IUPAC5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide
SMILESCCN(CC)C(=O)CCCC(=O)NNC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H31N3O4/c1-3-27(4-2)24(30)16-10-15-22(28)25-26-23(29)18-31-21-14-9-8-13-20(21)17-19-11-6-5-7-12-19/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyMYBDGJNRKTYAMV-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.84
Rot. Bonds11

About 5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide

5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide (PubChem CID 56520721) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide.

Molecular Properties

Compound Name5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide
PubChem CID56520721
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide
SMILESCCN(CC)C(=O)CCCC(=O)NNC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H31N3O4/c1-3-27(4-2)24(30)16-10-15-22(28)25-26-23(29)18-31-21-14-9-8-13-20(21)17-19-11-6-5-7-12-19/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyMYBDGJNRKTYAMV-UHFFFAOYSA-N
XLogP2.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.84
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

N'-[2-(2-benzylphenoxy)acetyl]pentanehydrazide
CID 27225929
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide
CID 78760776
2-(2-benzylphenoxy)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide
CID 55599195
N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 7536084
1-[[2-(2-benzylphenoxy)acetyl]amino]-3-tert-butylthiourea
CID 9425577
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 7943215
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
2-(2-benzylphenoxy)-N-methylsulfonylacetamide
CID 134106534
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27225851
2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide
CID 9138041

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide?
The IUPAC name of 5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide (CID 56520721) is 5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide.
What is the SMILES notation for 5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide?
The canonical SMILES for 5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide is CCN(CC)C(=O)CCCC(=O)NNC(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of 5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide?
The InChIKey is MYBDGJNRKTYAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-3-27(4-2)24(30)16-10-15-22(28)25-26-23(29)18-31-21-14-9-8-13-20(21)17-19-11-6-5-7-12-19/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide?
5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide has a molecular weight of 425.53 g/mol, XLogP of 2.84, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide is sourced from PubChem (CID 56520721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).