2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide

C20H32N2O3 — CID 51176280

IUPAC2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C20H32N2O3/c1-16(25-18-8-6-17(7-9-18)20(2,3)4)19(23)21-10-5-11-22-12-14-24-15-13-22/h6-9,16H,5,10-15H2,1-4H3,(H,21,23)
InChIKeyQLYPRJGEEQTYCK-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.59
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide

2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 51176280) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID51176280
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C20H32N2O3/c1-16(25-18-8-6-17(7-9-18)20(2,3)4)19(23)21-10-5-11-22-12-14-24-15-13-22/h6-9,16H,5,10-15H2,1-4H3,(H,21,23)
InChIKeyQLYPRJGEEQTYCK-UHFFFAOYSA-N
XLogP2.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391638
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide
CID 100521021
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478
2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445906
(2R)-N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92679375
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
(2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702454
(2R)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702455
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide (CID 51176280) is 2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is QLYPRJGEEQTYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-16(25-18-8-6-17(7-9-18)20(2,3)4)19(23)21-10-5-11-22-12-14-24-15-13-22/h6-9,16H,5,10-15H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 348.49 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 51176280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).