N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide

C24H24N2O5 — CID 4955104

IUPACN'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C24H24N2O5/c1-18-7-5-11-21(15-18)31-17-23(27)25-26-24(28)19-8-6-12-22(16-19)30-14-13-29-20-9-3-2-4-10-20/h2-12,15-16H,13-14,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyUMQMGCYDWZZCIT-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.29
Rot. Bonds9

About N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide

N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide (PubChem CID 4955104) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
PubChem CID4955104
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C24H24N2O5/c1-18-7-5-11-21(15-18)31-17-23(27)25-26-24(28)19-8-6-12-22(16-19)30-14-13-29-20-9-3-2-4-10-20/h2-12,15-16H,13-14,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyUMQMGCYDWZZCIT-UHFFFAOYSA-N
XLogP3.29
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955139
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
N-[[(3-methylbenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955383
N'-[2-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
3-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17139694
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
3-(2-ethoxyethoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17139730
N'-[4-(2-methoxyethoxy)benzoyl]-3-methylbenzohydrazide
CID 17353579
N'-[2-(3-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 51264727

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide (CID 4955104) is N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide?
The InChIKey is UMQMGCYDWZZCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-18-7-5-11-21(15-18)31-17-23(27)25-26-24(28)19-8-6-12-22(16-19)30-14-13-29-20-9-3-2-4-10-20/h2-12,15-16H,13-14,17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide?
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide has a molecular weight of 420.47 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide is sourced from PubChem (CID 4955104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).