N-(2-tert-butyl-4-hydroxyphenyl)propanamide

C13H19NO2 — CID 18630003

IUPACN-(2-tert-butyl-4-hydroxyphenyl)propanamide
SMILESCCC(=O)Nc1ccc(O)cc1C(C)(C)C
InChIInChI=1S/C13H19NO2/c1-5-12(16)14-11-7-6-9(15)8-10(11)13(2,3)4/h6-8,15H,5H2,1-4H3,(H,14,16)
InChIKeyHNOVWLIEOXMQJA-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.04
Rot. Bonds2

About N-(2-tert-butyl-4-hydroxyphenyl)propanamide

N-(2-tert-butyl-4-hydroxyphenyl)propanamide (PubChem CID 18630003) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-tert-butyl-4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4-hydroxyphenyl)propanamide
PubChem CID18630003
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-tert-butyl-4-hydroxyphenyl)propanamide
SMILESCCC(=O)Nc1ccc(O)cc1C(C)(C)C
InChIInChI=1S/C13H19NO2/c1-5-12(16)14-11-7-6-9(15)8-10(11)13(2,3)4/h6-8,15H,5H2,1-4H3,(H,14,16)
InChIKeyHNOVWLIEOXMQJA-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-tert-butyl-4-[(2-chloroacetyl)amino]phenyl]-2-chloroacetamide
CID 18630154
N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide
CID 171836455
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
N-(2-ethyl-4-hydroxyphenyl)butanamide
CID 143294453
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
N-(2-chloro-4-hydroxyphenyl)butanamide
CID 64789093
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2-ethyl-4-methylphenyl)propanamide
CID 90352566
3-tert-butyl-4-methylphenol
CID 13130216
N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide
CID 107723124
2-[(2-tert-butylsulfanylacetyl)amino]-5-hydroxybenzoic acid
CID 61406288

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-hydroxyphenyl)propanamide?
The IUPAC name of N-(2-tert-butyl-4-hydroxyphenyl)propanamide (CID 18630003) is N-(2-tert-butyl-4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(2-tert-butyl-4-hydroxyphenyl)propanamide?
The canonical SMILES for N-(2-tert-butyl-4-hydroxyphenyl)propanamide is CCC(=O)Nc1ccc(O)cc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-4-hydroxyphenyl)propanamide?
The InChIKey is HNOVWLIEOXMQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-12(16)14-11-7-6-9(15)8-10(11)13(2,3)4/h6-8,15H,5H2,1-4H3,(H,14,16).
What are the key properties of N-(2-tert-butyl-4-hydroxyphenyl)propanamide?
N-(2-tert-butyl-4-hydroxyphenyl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-hydroxyphenyl)propanamide is sourced from PubChem (CID 18630003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).