2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide

C19H31N3O2 — CID 119445906

IUPAC2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCN1CCNCC1
InChIInChI=1S/C19H31N3O2/c1-15(18(23)21-11-14-22-12-9-20-10-13-22)24-17-7-5-16(6-8-17)19(2,3)4/h5-8,15,20H,9-14H2,1-4H3,(H,21,23)
InChIKeyLVDFQQOHDVJXSX-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.77
Rot. Bonds6

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

2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 119445906) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID119445906
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCN1CCNCC1
InChIInChI=1S/C19H31N3O2/c1-15(18(23)21-11-14-22-12-9-20-10-13-22)24-17-7-5-16(6-8-17)19(2,3)4/h5-8,15,20H,9-14H2,1-4H3,(H,21,23)
InChIKeyLVDFQQOHDVJXSX-UHFFFAOYSA-N
XLogP1.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391638
2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445694
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
CID 51176280
2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123
(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-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 46422027
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide (CID 119445906) is 2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCN1CCNCC1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is LVDFQQOHDVJXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(18(23)21-11-14-22-12-9-20-10-13-22)24-17-7-5-16(6-8-17)19(2,3)4/h5-8,15,20H,9-14H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 119445906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).