4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide

C21H26N2O3 — CID 60602190

IUPAC4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CCCCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-26-19-14-12-18(13-15-19)21(25)23-22-20(24)7-5-4-6-17-10-8-16(2)9-11-17/h8-15H,3-7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOJJDMDOVBCPTAF-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.57
Rot. Bonds8

About 4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide

4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide (PubChem CID 60602190) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide
PubChem CID60602190
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CCCCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-26-19-14-12-18(13-15-19)21(25)23-22-20(24)7-5-4-6-17-10-8-16(2)9-11-17/h8-15H,3-7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOJJDMDOVBCPTAF-UHFFFAOYSA-N
XLogP3.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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CID 3103832
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
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4-ethoxy-N'-[4-(4-methoxyphenoxy)butanoyl]benzohydrazide
CID 9492733
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478
ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 9086442
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
4-ethoxy-N'-[2-(4-hydroxyphenyl)acetyl]benzohydrazide
CID 78821862
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39756465
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-[4-(4-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
CID 24979119

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide?
The IUPAC name of 4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide (CID 60602190) is 4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)CCCCc2ccc(C)cc2)cc1.
What is the InChIKey of 4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide?
The InChIKey is OJJDMDOVBCPTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-26-19-14-12-18(13-15-19)21(25)23-22-20(24)7-5-4-6-17-10-8-16(2)9-11-17/h8-15H,3-7H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide?
4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide has a molecular weight of 354.45 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide is sourced from PubChem (CID 60602190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).