N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide

C21H26N2O3 — CID 34756829

IUPACN'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
SMILESCC(C)CCC(=O)NNC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-16(2)12-13-20(24)22-23-21(25)15-26-19-11-7-6-10-18(19)14-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGVLNCVKUCLPZSH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.24
Rot. Bonds8

About N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide

N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide (PubChem CID 34756829) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
PubChem CID34756829
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
SMILESCC(C)CCC(=O)NNC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-16(2)12-13-20(24)22-23-21(25)15-26-19-11-7-6-10-18(19)14-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGVLNCVKUCLPZSH-UHFFFAOYSA-N
XLogP3.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-benzylphenoxy)acetyl]pentanehydrazide
CID 27225929
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide
CID 56520721
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 7943215
1-[[2-(2-benzylphenoxy)acetyl]amino]-3-tert-butylthiourea
CID 9425577
methyl (2S)-2-[[2-(2-benzylphenoxy)acetyl]amino]-3-methylbutanoate
CID 55943159
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
N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 7536084
2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 40585349

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide?
The IUPAC name of N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide (CID 34756829) is N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide.
What is the SMILES notation for N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide?
The canonical SMILES for N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide is CC(C)CCC(=O)NNC(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide?
The InChIKey is GVLNCVKUCLPZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(2)12-13-20(24)22-23-21(25)15-26-19-11-7-6-10-18(19)14-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide?
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide has a molecular weight of 354.45 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide is sourced from PubChem (CID 34756829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).