N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide

C22H26N2O5 — CID 4816885

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide
SMILESCCOc1ccc(C(=O)CCC(=O)NNC(=O)COc2c(C)cccc2C)cc1
InChIInChI=1S/C22H26N2O5/c1-4-28-18-10-8-17(9-11-18)19(25)12-13-20(26)23-24-21(27)14-29-22-15(2)6-5-7-16(22)3/h5-11H,4,12-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyDSVXRPJTVDTQGG-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.89
Rot. Bonds9

About N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide (PubChem CID 4816885) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide
PubChem CID4816885
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide
SMILESCCOc1ccc(C(=O)CCC(=O)NNC(=O)COc2c(C)cccc2C)cc1
InChIInChI=1S/C22H26N2O5/c1-4-28-18-10-8-17(9-11-18)19(25)12-13-20(26)23-24-21(27)14-29-22-15(2)6-5-7-16(22)3/h5-11H,4,12-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyDSVXRPJTVDTQGG-UHFFFAOYSA-N
XLogP2.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide
CID 78774846
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
CID 4950737
N-(3-acetamido-2-methylphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 134019287
2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide
CID 9220935
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 2210337
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204
N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9472118
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
4-(4-ethoxyphenyl)-4-oxo-N-(3-phenylprop-2-ynyl)butanamide
CID 51332500

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide (CID 4816885) is N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide is CCOc1ccc(C(=O)CCC(=O)NNC(=O)COc2c(C)cccc2C)cc1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide?
The InChIKey is DSVXRPJTVDTQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-4-28-18-10-8-17(9-11-18)19(25)12-13-20(26)23-24-21(27)14-29-22-15(2)6-5-7-16(22)3/h5-11H,4,12-14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide has a molecular weight of 398.46 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide is sourced from PubChem (CID 4816885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).