N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide

C20H22N2O6 — CID 24554535

IUPACN'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C20H22N2O6/c1-12(23)14-5-8-16(9-6-14)28-13(2)19(24)21-22-20(25)15-7-10-17(26-3)18(11-15)27-4/h5-11,13H,1-4H3,(H,21,24)(H,22,25)
InChIKeyZZUKBUKHFCXCIA-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.13
Rot. Bonds7

About N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide

N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide (PubChem CID 24554535) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
PubChem CID24554535
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC NameN'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C20H22N2O6/c1-12(23)14-5-8-16(9-6-14)28-13(2)19(24)21-22-20(25)15-7-10-17(26-3)18(11-15)27-4/h5-11,13H,1-4H3,(H,21,24)(H,22,25)
InChIKeyZZUKBUKHFCXCIA-UHFFFAOYSA-N
XLogP2.13
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4944161
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 17046488
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
4-methoxy-N'-[2-(2-methoxyphenoxy)propanoyl]benzohydrazide
CID 4943348
N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4953445
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
CID 55738119
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide (CID 24554535) is N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C(C)=O)cc2)cc1OC.
What is the InChIKey of N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is ZZUKBUKHFCXCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-12(23)14-5-8-16(9-6-14)28-13(2)19(24)21-22-20(25)15-7-10-17(26-3)18(11-15)27-4/h5-11,13H,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 386.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 24554535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).