N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide

C21H26N2O4 — CID 17169456

IUPACN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)c2ccccc2OC(C)C)cc1C
InChIInChI=1S/C21H26N2O4/c1-13(2)26-19-9-7-6-8-18(19)21(25)23-22-20(24)16(5)27-17-11-10-14(3)15(4)12-17/h6-13,16H,1-5H3,(H,22,24)(H,23,25)
InChIKeyGLSGHZFHZPMABY-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.32
Rot. Bonds6

About N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide

N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide (PubChem CID 17169456) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
PubChem CID17169456
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)c2ccccc2OC(C)C)cc1C
InChIInChI=1S/C21H26N2O4/c1-13(2)26-19-9-7-6-8-18(19)21(25)23-22-20(24)16(5)27-17-11-10-14(3)15(4)12-17/h6-13,16H,1-5H3,(H,22,24)(H,23,25)
InChIKeyGLSGHZFHZPMABY-UHFFFAOYSA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.32
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

N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-pentoxybenzohydrazide
CID 17169415
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
2-butoxy-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]benzamide
CID 17169546
N'-(2,2-diphenylacetyl)-2-propan-2-yloxybenzohydrazide
CID 17045646
3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide
CID 17169474
N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
CID 132650471
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 17169425
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 17046473
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]benzamide
CID 17169505
2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide (CID 17169456) is N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide is Cc1ccc(OC(C)C(=O)NNC(=O)c2ccccc2OC(C)C)cc1C.
What is the InChIKey of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide?
The InChIKey is GLSGHZFHZPMABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13(2)26-19-9-7-6-8-18(19)21(25)23-22-20(24)16(5)27-17-11-10-14(3)15(4)12-17/h6-13,16H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide?
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 17169456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).