N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide

C25H26N2O3 — CID 4932039

IUPACN'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
SMILESCCC(Oc1ccccc1C)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-3-21(30-22-17-11-10-12-18(22)2)24(28)26-27-25(29)23(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-17,21,23H,3H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPJCAIGBOBWMOKN-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.13
Rot. Bonds7

About N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide

N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide (PubChem CID 4932039) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
PubChem CID4932039
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
SMILESCCC(Oc1ccccc1C)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-3-21(30-22-17-11-10-12-18(22)2)24(28)26-27-25(29)23(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-17,21,23H,3H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPJCAIGBOBWMOKN-UHFFFAOYSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
CID 110001590
(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92677761
4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
CID 4932135
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
CID 119351050
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(2-methylphenoxy)butanehydrazide
CID 4931994
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
CID 4932168

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide?
The IUPAC name of N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide (CID 4932039) is N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide.
What is the SMILES notation for N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide?
The canonical SMILES for N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide is CCC(Oc1ccccc1C)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide?
The InChIKey is PJCAIGBOBWMOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-21(30-22-17-11-10-12-18(22)2)24(28)26-27-25(29)23(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-17,21,23H,3H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide?
N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide has a molecular weight of 402.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide is sourced from PubChem (CID 4932039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).