3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide

C42H60N2O4 — CID 154419209

IUPAC3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide
SMILESO=C(CCc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1)NNC(=O)CCc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C42H60N2O4/c45-39(23-21-29-25-35(31-13-5-1-6-14-31)41(47)36(26-29)32-15-7-2-8-16-32)43-44-40(46)24-22-30-27-37(33-17-9-3-10-18-33)42(48)38(28-30)34-19-11-4-12-20-34/h25-28,31-34,47-48H,1-24H2,(H,43,45)(H,44,46)
InChIKeyWXCZSBFKWDAYTQ-UHFFFAOYSA-N
MW656.95 g/mol
LogP10.00
Rot. Bonds10

About 3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide

3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide (PubChem CID 154419209) has the molecular formula C42H60N2O4 and a molecular weight of 656.95 g/mol. Its IUPAC name is 3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide
PubChem CID154419209
Molecular FormulaC42H60N2O4
Molecular Weight656.95 g/mol
Exact Mass656.46
IUPAC Name3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide
SMILESO=C(CCc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1)NNC(=O)CCc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C42H60N2O4/c45-39(23-21-29-25-35(31-13-5-1-6-14-31)41(47)36(26-29)32-15-7-2-8-16-32)43-44-40(46)24-22-30-27-37(33-17-9-3-10-18-33)42(48)38(28-30)34-19-11-4-12-20-34/h25-28,31-34,47-48H,1-24H2,(H,43,45)(H,44,46)
InChIKeyWXCZSBFKWDAYTQ-UHFFFAOYSA-N
XLogP10.00
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.95
LogP ≤ 510.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
The IUPAC name of 3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide (CID 154419209) is 3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide.
What is the SMILES notation for 3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
The canonical SMILES for 3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide is O=C(CCc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1)NNC(=O)CCc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1.
What is the InChIKey of 3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
The InChIKey is WXCZSBFKWDAYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H60N2O4/c45-39(23-21-29-25-35(31-13-5-1-6-14-31)41(47)36(26-29)32-15-7-2-8-16-32)43-44-40(46)24-22-30-27-37(33-17-9-3-10-18-33)42(48)38(28-30)34-19-11-4-12-20-34/h25-28,31-34,47-48H,1-24H2,(H,43,45)(H,44,46).
What are the key properties of 3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide has a molecular weight of 656.95 g/mol, XLogP of 10.00, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dicyclohexyl-4-hydroxyphenyl)-N'-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyl]propanehydrazide is sourced from PubChem (CID 154419209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).