N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide

C18H21NO3 — CID 139923830

IUPACN-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)Cc2ccccc2)c1O
InChIInChI=1S/C18H21NO3/c1-18(2,3)13-9-10-14(20)16(17(13)22)19-15(21)11-12-7-5-4-6-8-12/h4-10,20,22H,11H2,1-3H3,(H,19,21)
InChIKeyQFYADYWMFWLQBP-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.58
Rot. Bonds3

About N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide

N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide (PubChem CID 139923830) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide
PubChem CID139923830
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)Cc2ccccc2)c1O
InChIInChI=1S/C18H21NO3/c1-18(2,3)13-9-10-14(20)16(17(13)22)19-15(21)11-12-7-5-4-6-8-12/h4-10,20,22H,11H2,1-3H3,(H,19,21)
InChIKeyQFYADYWMFWLQBP-UHFFFAOYSA-N
XLogP3.58
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-(2,4,6-triethylphenyl)acetamide
CID 3115580
N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide
CID 158026912
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136786095
N-[4-(tert-butylamino)phenyl]-2-phenylacetamide
CID 112984887
(3-tert-butyl-4-hydroxyphenyl) 2-phenylacetate
CID 836845
N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide
CID 139923822
2-benzyl-4,5-ditert-butylphenol
CID 21430785
N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide
CID 1370326
2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide
CID 113199088
N-(2-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 890877
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-phenylacetamide
CID 113354468
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide?
The IUPAC name of N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide (CID 139923830) is N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide.
What is the SMILES notation for N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide?
The canonical SMILES for N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide is CC(C)(C)c1ccc(O)c(NC(=O)Cc2ccccc2)c1O.
What is the InChIKey of N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide?
The InChIKey is QFYADYWMFWLQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2,3)13-9-10-14(20)16(17(13)22)19-15(21)11-12-7-5-4-6-8-12/h4-10,20,22H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide?
N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide has a molecular weight of 299.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 139923830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).