5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide

C30H44N2O5 — CID 20557169

IUPAC5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
SMILESCCCCCCCCCCCCCCCCOc1ccc(O)c(C(=O)NNC(=O)c2ccccc2O)c1
InChIInChI=1S/C30H44N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-37-24-20-21-28(34)26(23-24)30(36)32-31-29(35)25-18-15-16-19-27(25)33/h15-16,18-21,23,33-34H,2-14,17,22H2,1H3,(H,31,35)(H,32,36)
InChIKeyGZLOPTKRAKDSMH-UHFFFAOYSA-N
MW512.69 g/mol
LogP7.03
Rot. Bonds18

About 5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide

5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide (PubChem CID 20557169) has the molecular formula C30H44N2O5 and a molecular weight of 512.69 g/mol. Its IUPAC name is 5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
PubChem CID20557169
Molecular FormulaC30H44N2O5
Molecular Weight512.69 g/mol
Exact Mass512.33
IUPAC Name5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
SMILESCCCCCCCCCCCCCCCCOc1ccc(O)c(C(=O)NNC(=O)c2ccccc2O)c1
InChIInChI=1S/C30H44N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-37-24-20-21-28(34)26(23-24)30(36)32-31-29(35)25-18-15-16-19-27(25)33/h15-16,18-21,23,33-34H,2-14,17,22H2,1H3,(H,31,35)(H,32,36)
InChIKeyGZLOPTKRAKDSMH-UHFFFAOYSA-N
XLogP7.03
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.69
LogP ≤ 57.03
H-Bond Donors ≤ 54
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

N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
1,2-bis(5-decoxy-2-hydroxyphenyl)ethane-1,2-dione
CID 11757389
methyl 5-decoxy-2-hydroxybenzoate
CID 54520476
5-hexoxy-2-hydroxybenzoic acid
CID 19036724
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003
4-hexoxybenzene-1,2-diol
CID 23459322
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
CID 4950819
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332

Frequently Asked Questions

What is the IUPAC name of 5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide?
The IUPAC name of 5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide (CID 20557169) is 5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide.
What is the SMILES notation for 5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide?
The canonical SMILES for 5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide is CCCCCCCCCCCCCCCCOc1ccc(O)c(C(=O)NNC(=O)c2ccccc2O)c1.
What is the InChIKey of 5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide?
The InChIKey is GZLOPTKRAKDSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-37-24-20-21-28(34)26(23-24)30(36)32-31-29(35)25-18-15-16-19-27(25)33/h15-16,18-21,23,33-34H,2-14,17,22H2,1H3,(H,31,35)(H,32,36).
What are the key properties of 5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide?
5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide has a molecular weight of 512.69 g/mol, XLogP of 7.03, 18 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide is sourced from PubChem (CID 20557169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).