N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide

C15H23NO3 — CID 47266829

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C15H23NO3/c1-15(2,3)11-7-8-13(17)12(10-11)16-14(18)6-5-9-19-4/h7-8,10,17H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyIFCOECPPLUWOOQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.05
Rot. Bonds5

About N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide

N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide (PubChem CID 47266829) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide
PubChem CID47266829
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C15H23NO3/c1-15(2,3)11-7-8-13(17)12(10-11)16-14(18)6-5-9-19-4/h7-8,10,17H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyIFCOECPPLUWOOQ-UHFFFAOYSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)pentanamide
CID 29265334
N-(5-tert-butyl-2-hydroxyphenyl)tetradecanamide
CID 58819419
3-[4-(4-tert-butylphenoxy)butanoylamino]-4-hydroxybenzoic acid
CID 108753977
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide
CID 139011848
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide
CID 31031780
N-[3-(5-tert-butyl-2-hydroxyanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 29265430
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
(Z)-4-(5-tert-butyl-2-hydroxyanilino)pent-3-en-2-one
CID 139061491
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18225583
N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
CID 27672955
(Z)-4-(5-tert-butyl-2-hydroxyanilino)-4-oxobut-2-enoic acid
CID 101041653

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide (CID 47266829) is N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide is COCCCC(=O)Nc1cc(C(C)(C)C)ccc1O.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide?
The InChIKey is IFCOECPPLUWOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)11-7-8-13(17)12(10-11)16-14(18)6-5-9-19-4/h7-8,10,17H,5-6,9H2,1-4H3,(H,16,18).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide?
N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide has a molecular weight of 265.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide is sourced from PubChem (CID 47266829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).