N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide

C22H26N2O3 — CID 2370954

IUPACN'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide
SMILESCCOc1ccc(OCc2ccc(C(=O)NNC3=CCCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-26-20-12-14-21(15-13-20)27-16-17-8-10-18(11-9-17)22(25)24-23-19-6-4-3-5-7-19/h6,8-15,23H,2-5,7,16H2,1H3,(H,24,25)
InChIKeyKIPKMBXNAONJKX-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.36
Rot. Bonds8

About N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide

N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide (PubChem CID 2370954) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide
PubChem CID2370954
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide
SMILESCCOc1ccc(OCc2ccc(C(=O)NNC3=CCCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-26-20-12-14-21(15-13-20)27-16-17-8-10-18(11-9-17)22(25)24-23-19-6-4-3-5-7-19/h6,8-15,23H,2-5,7,16H2,1H3,(H,24,25)
InChIKeyKIPKMBXNAONJKX-UHFFFAOYSA-N
XLogP4.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.36
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'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide
CID 3663481
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide
CID 9277379
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide
CID 8502972
N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
CID 7979451
4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide
CID 47140397
1-butyl-3-[[4-[(4-ethoxyphenoxy)methyl]benzoyl]amino]thiourea
CID 8626364
N'-(cyclopenten-1-yl)-3,4-dimethylbenzohydrazide
CID 4744638
4-ethoxy-N'-[2-(4-hydroxyphenyl)acetyl]benzohydrazide
CID 78821862
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide?
The IUPAC name of N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide (CID 2370954) is N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide.
What is the SMILES notation for N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide?
The canonical SMILES for N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide is CCOc1ccc(OCc2ccc(C(=O)NNC3=CCCCC3)cc2)cc1.
What is the InChIKey of N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide?
The InChIKey is KIPKMBXNAONJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-26-20-12-14-21(15-13-20)27-16-17-8-10-18(11-9-17)22(25)24-23-19-6-4-3-5-7-19/h6,8-15,23H,2-5,7,16H2,1H3,(H,24,25).
What are the key properties of N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide?
N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide has a molecular weight of 366.46 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 2370954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).