N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide

C21H26N2O4 — CID 4928664

IUPACN'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
SMILESCCC(Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C21H26N2O4/c1-5-18(27-17-8-6-7-14(2)12-17)21(25)23-22-20(24)13-26-19-10-9-15(3)11-16(19)4/h6-12,18H,5,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPTNFBAFUQWNVLS-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.00
Rot. Bonds7

About N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide

N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide (PubChem CID 4928664) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
PubChem CID4928664
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
SMILESCCC(Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C21H26N2O4/c1-5-18(27-17-8-6-7-14(2)12-17)21(25)23-22-20(24)13-26-19-10-9-15(3)11-16(19)4/h6-12,18H,5,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPTNFBAFUQWNVLS-UHFFFAOYSA-N
XLogP3.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.00
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

(2R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxybutanehydrazide
CID 40623782
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
CID 4928809
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide
CID 4928719
N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(4-methylphenoxy)butanehydrazide
CID 17343934
4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928674
3-butan-2-yloxy-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 17149862
propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4928819
2-(4-methylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]butanehydrazide
CID 4950205
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(2-methylphenoxy)butanehydrazide
CID 4931994
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methylphenoxy)butanehydrazide
CID 4950294
3-butan-2-yloxy-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17150185
4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928678

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide?
The IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide (CID 4928664) is N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide is CCC(Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(C)cc1C.
What is the InChIKey of N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide?
The InChIKey is PTNFBAFUQWNVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-18(27-17-8-6-7-14(2)12-17)21(25)23-22-20(24)13-26-19-10-9-15(3)11-16(19)4/h6-12,18H,5,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide?
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide is sourced from PubChem (CID 4928664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).