N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide

C21H26N2O4 — CID 55650544

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)C(C)OCc2ccccc2)c1C
InChIInChI=1S/C21H26N2O4/c1-14-9-8-12-19(15(14)2)27-17(4)21(25)23-22-20(24)16(3)26-13-18-10-6-5-7-11-18/h5-12,16-17H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyIBVAOUZVNMJWOV-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.82
Rot. Bonds7

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide (PubChem CID 55650544) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
PubChem CID55650544
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)C(C)OCc2ccccc2)c1C
InChIInChI=1S/C21H26N2O4/c1-14-9-8-12-19(15(14)2)27-17(4)21(25)23-22-20(24)16(3)26-13-18-10-6-5-7-11-18/h5-12,16-17H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyIBVAOUZVNMJWOV-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
[1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158764
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide
CID 43006891
N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014
N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
CID 43008320
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
2-(2,3-dimethylphenoxy)-N'-[2-(N-ethylanilino)acetyl]propanehydrazide
CID 55862167
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
(2R)-2-(2,3-dimethylphenoxy)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]propanehydrazide
CID 8880338

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide (CID 55650544) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)C(C)OCc2ccccc2)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide?
The InChIKey is IBVAOUZVNMJWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-9-8-12-19(15(14)2)27-17(4)21(25)23-22-20(24)16(3)26-13-18-10-6-5-7-11-18/h5-12,16-17H,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide has a molecular weight of 370.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide is sourced from PubChem (CID 55650544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).