2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide

C19H28N2O3 — CID 46422027

IUPAC2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C19H28N2O3/c1-14(18(23)20-13-17(22)21-11-5-6-12-21)24-16-9-7-15(8-10-16)19(2,3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,20,23)
InChIKeyYHPWDTYZPBAJID-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.49
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide

2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 46422027) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
PubChem CID46422027
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C19H28N2O3/c1-14(18(23)20-13-17(22)21-11-5-6-12-21)24-16-9-7-15(8-10-16)19(2,3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,20,23)
InChIKeyYHPWDTYZPBAJID-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47034520
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 51729397
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
(2R)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702455
(2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702454
2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445906
2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240630
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
CID 51176280
N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide
CID 119997217

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide (CID 46422027) is 2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is YHPWDTYZPBAJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(18(23)20-13-17(22)21-11-5-6-12-21)24-16-9-7-15(8-10-16)19(2,3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,20,23).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 332.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 46422027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).