N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide

C18H27NO4 — CID 51126483

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)Nc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C18H27NO4/c1-12(23-11-14-6-5-9-22-14)17(21)19-15-10-13(18(2,3)4)7-8-16(15)20/h7-8,10,12,14,20H,5-6,9,11H2,1-4H3,(H,19,21)
InChIKeyQLPYLKXVUBIUNY-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.21
Rot. Bonds5

About N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide

N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide (PubChem CID 51126483) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
PubChem CID51126483
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)Nc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C18H27NO4/c1-12(23-11-14-6-5-9-22-14)17(21)19-15-10-13(18(2,3)4)7-8-16(15)20/h7-8,10,12,14,20H,5-6,9,11H2,1-4H3,(H,19,21)
InChIKeyQLPYLKXVUBIUNY-UHFFFAOYSA-N
XLogP3.21
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 122159402
(2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 124515209
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 95977169
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119421308
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 52533675
N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 48849651

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide (CID 51126483) is N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide is CC(OCC1CCCO1)C(=O)Nc1cc(C(C)(C)C)ccc1O.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is QLPYLKXVUBIUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-12(23-11-14-6-5-9-22-14)17(21)19-15-10-13(18(2,3)4)7-8-16(15)20/h7-8,10,12,14,20H,5-6,9,11H2,1-4H3,(H,19,21).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 321.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 51126483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).