5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide

C20H30N2O2 — CID 15170949

IUPAC5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCCC#N)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H30N2O2/c1-19(2,3)15-12-14(13-16(18(15)24)20(4,5)6)22-17(23)10-8-7-9-11-21/h12-13,24H,7-10H2,1-6H3,(H,22,23)
InChIKeyJHIHCIGHBXZKKO-UHFFFAOYSA-N
MW330.47 g/mol
LogP5.01
Rot. Bonds5

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

5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide (PubChem CID 15170949) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide.

Molecular Properties

Compound Name5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide
PubChem CID15170949
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCCC#N)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H30N2O2/c1-19(2,3)15-12-14(13-16(18(15)24)20(4,5)6)22-17(23)10-8-7-9-11-21/h12-13,24H,7-10H2,1-6H3,(H,22,23)
InChIKeyJHIHCIGHBXZKKO-UHFFFAOYSA-N
XLogP5.01
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
CID 14988663
N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide
CID 19902400
N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide
CID 115173478
4-(3,5-ditert-butyl-4-hydroxyanilino)-2-methylidene-4-oxobutanoic acid
CID 21321063
4-(3,5-ditert-butyl-4-hydroxyphenoxy)butanenitrile
CID 15027734
N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide
CID 21446651
N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 171977413
N-(3-tert-butyl-4-hydroxyphenyl)octadecanamide
CID 21290134
N-(3-tert-butyl-4-hydroxyphenyl)nonanamide
CID 21290138
2-cyanoethyl 3,5-ditert-butyl-4-hydroxybenzoate
CID 3806115
4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide
CID 139839199
N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide
CID 126701347

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide?
The IUPAC name of 5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide (CID 15170949) is 5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide.
What is the SMILES notation for 5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide?
The canonical SMILES for 5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide is CC(C)(C)c1cc(NC(=O)CCCCC#N)cc(C(C)(C)C)c1O.
What is the InChIKey of 5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide?
The InChIKey is JHIHCIGHBXZKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-19(2,3)15-12-14(13-16(18(15)24)20(4,5)6)22-17(23)10-8-7-9-11-21/h12-13,24H,7-10H2,1-6H3,(H,22,23).
What are the key properties of 5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide?
5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide has a molecular weight of 330.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide is sourced from PubChem (CID 15170949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).