N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide

C27H33N5O3 — CID 172786585

IUPACN'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide
SMILESCCCCc1cn(-c2ccc(C(=O)NNC(=O)c3cc(OC4CCCCC4)ccc3C)cc2)nn1
InChIInChI=1S/C27H33N5O3/c1-3-4-8-21-18-32(31-28-21)22-14-12-20(13-15-22)26(33)29-30-27(34)25-17-24(16-11-19(25)2)35-23-9-6-5-7-10-23/h11-18,23H,3-10H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyOZAMYPGVKDKVFC-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.70
Rot. Bonds8

About N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide

N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide (PubChem CID 172786585) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide
PubChem CID172786585
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide
SMILESCCCCc1cn(-c2ccc(C(=O)NNC(=O)c3cc(OC4CCCCC4)ccc3C)cc2)nn1
InChIInChI=1S/C27H33N5O3/c1-3-4-8-21-18-32(31-28-21)22-14-12-20(13-15-22)26(33)29-30-27(34)25-17-24(16-11-19(25)2)35-23-9-6-5-7-10-23/h11-18,23H,3-10H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyOZAMYPGVKDKVFC-UHFFFAOYSA-N
XLogP4.70
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.70
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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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide?
The IUPAC name of N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide (CID 172786585) is N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide.
What is the SMILES notation for N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide?
The canonical SMILES for N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide is CCCCc1cn(-c2ccc(C(=O)NNC(=O)c3cc(OC4CCCCC4)ccc3C)cc2)nn1.
What is the InChIKey of N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide?
The InChIKey is OZAMYPGVKDKVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-3-4-8-21-18-32(31-28-21)22-14-12-20(13-15-22)26(33)29-30-27(34)25-17-24(16-11-19(25)2)35-23-9-6-5-7-10-23/h11-18,23H,3-10H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide?
N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide has a molecular weight of 475.59 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide is sourced from PubChem (CID 172786585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).