10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide

C27H46N4O4 — CID 87705339

IUPAC10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide
SMILESCC(C)(C)c1cc(CCC(=O)N(N)C(=O)CCCCCCCCC(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H46N4O4/c1-26(2,3)20-17-19(18-21(25(20)35)27(4,5)6)15-16-24(34)31(29)23(33)14-12-10-8-7-9-11-13-22(32)30-28/h17-18,35H,7-16,28-29H2,1-6H3,(H,30,32)
InChIKeyXQLDJFWOXBUHPP-UHFFFAOYSA-N
MW490.69 g/mol
LogP4.26
Rot. Bonds12

About 10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide

10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide (PubChem CID 87705339) has the molecular formula C27H46N4O4 and a molecular weight of 490.69 g/mol. Its IUPAC name is 10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide.

Molecular Properties

Compound Name10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide
PubChem CID87705339
Molecular FormulaC27H46N4O4
Molecular Weight490.69 g/mol
Exact Mass490.35
IUPAC Name10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide
SMILESCC(C)(C)c1cc(CCC(=O)N(N)C(=O)CCCCCCCCC(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H46N4O4/c1-26(2,3)20-17-19(18-21(25(20)35)27(4,5)6)15-16-24(34)31(29)23(33)14-12-10-8-7-9-11-13-22(32)30-28/h17-18,35H,7-16,28-29H2,1-6H3,(H,30,32)
InChIKeyXQLDJFWOXBUHPP-UHFFFAOYSA-N
XLogP4.26
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.69
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide
CID 139839199
N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide
CID 19902400
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide
CID 139821998
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
[2-(dimethylamino)-2-oxoethyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 7690237
N-(6-aminohexyl)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butanoyl]butanamide
CID 175225482
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
CID 142558013
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide
CID 21199521
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2,5-dioxopyrrol-1-yl)-N-hydroxypropanamide
CID 57301834

Frequently Asked Questions

What is the IUPAC name of 10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide?
The IUPAC name of 10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide (CID 87705339) is 10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide.
What is the SMILES notation for 10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide?
The canonical SMILES for 10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide is CC(C)(C)c1cc(CCC(=O)N(N)C(=O)CCCCCCCCC(=O)NN)cc(C(C)(C)C)c1O.
What is the InChIKey of 10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide?
The InChIKey is XQLDJFWOXBUHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N4O4/c1-26(2,3)20-17-19(18-21(25(20)35)27(4,5)6)15-16-24(34)31(29)23(33)14-12-10-8-7-9-11-13-22(32)30-28/h17-18,35H,7-16,28-29H2,1-6H3,(H,30,32).
What are the key properties of 10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide?
10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide has a molecular weight of 490.69 g/mol, XLogP of 4.26, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]decanedihydrazide is sourced from PubChem (CID 87705339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).