N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide

C17H28N2O2 — CID 23192818

IUPACN-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
SMILESCCC(=O)N(N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-8-14(20)19(18)11-9-12(16(2,3)4)15(21)13(10-11)17(5,6)7/h9-10,21H,8,18H2,1-7H3
InChIKeyRNAAEMFAYHFIIF-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.60
Rot. Bonds2

About N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide

N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide (PubChem CID 23192818) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
PubChem CID23192818
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
SMILESCCC(=O)N(N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-8-14(20)19(18)11-9-12(16(2,3)4)15(21)13(10-11)17(5,6)7/h9-10,21H,8,18H2,1-7H3
InChIKeyRNAAEMFAYHFIIF-UHFFFAOYSA-N
XLogP3.60
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide
CID 71325318
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide
CID 139821998
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide
CID 54325320
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
ethyl (2R)-2-amino-3,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 92844540
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 139466693
1-N,3-N-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]propanedihydrazide
CID 139030894
ethyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfonyl-2-methylpropanoate
CID 21449472
ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetate
CID 13344807
ethyl 4-(3,5-ditert-butyl-4-hydroxyphenyl)benzoate
CID 11068212
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(dipropylamino)ethanone
CID 2187630

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
The IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide (CID 23192818) is N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide.
What is the SMILES notation for N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
The canonical SMILES for N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide is CCC(=O)N(N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
The InChIKey is RNAAEMFAYHFIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-8-14(20)19(18)11-9-12(16(2,3)4)15(21)13(10-11)17(5,6)7/h9-10,21H,8,18H2,1-7H3.
What are the key properties of N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide has a molecular weight of 292.42 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide is sourced from PubChem (CID 23192818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).