N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide

C25H23N5O4 — CID 43066169

IUPACN'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide
SMILESCCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cn(-c4ccccc4)nn3)cc2)cc1
InChIInChI=1S/C25H23N5O4/c1-2-33-21-12-14-22(15-13-21)34-17-18-8-10-19(11-9-18)24(31)27-28-25(32)23-16-30(29-26-23)20-6-4-3-5-7-20/h3-16H,2,17H2,1H3,(H,27,31)(H,28,32)
InChIKeySHKVOXASLBPASM-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.32
Rot. Bonds8

About N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide

N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide (PubChem CID 43066169) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide
PubChem CID43066169
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC NameN'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide
SMILESCCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cn(-c4ccccc4)nn3)cc2)cc1
InChIInChI=1S/C25H23N5O4/c1-2-33-21-12-14-22(15-13-21)34-17-18-8-10-19(11-9-18)24(31)27-28-25(32)23-16-30(29-26-23)20-6-4-3-5-7-20/h3-16H,2,17H2,1H3,(H,27,31)(H,28,32)
InChIKeySHKVOXASLBPASM-UHFFFAOYSA-N
XLogP3.32
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide
CID 9277379
N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
CID 46407148
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide
CID 8502972
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
CID 92702195
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
4-phenylmethoxy-N-propylbenzamide
CID 4958389
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide
CID 46422486
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide?
The IUPAC name of N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide (CID 43066169) is N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide.
What is the SMILES notation for N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide?
The canonical SMILES for N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide is CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cn(-c4ccccc4)nn3)cc2)cc1.
What is the InChIKey of N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide?
The InChIKey is SHKVOXASLBPASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-2-33-21-12-14-22(15-13-21)34-17-18-8-10-19(11-9-18)24(31)27-28-25(32)23-16-30(29-26-23)20-6-4-3-5-7-20/h3-16H,2,17H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide?
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide has a molecular weight of 457.49 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide is sourced from PubChem (CID 43066169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).