2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate

C20H24N2O4 — CID 3405696

IUPAC2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccc(OCC(=O)OCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)16-4-6-17(7-5-16)26-14-18(23)25-13-12-22-19(24)15-8-10-21-11-9-15/h4-11H,12-14H2,1-3H3,(H,22,24)
InChIKeyAEIKXAVZPDMZAE-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.73
Rot. Bonds7

About 2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate

2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate (PubChem CID 3405696) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
PubChem CID3405696
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccc(OCC(=O)OCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)16-4-6-17(7-5-16)26-14-18(23)25-13-12-22-19(24)15-8-10-21-11-9-15/h4-11H,12-14H2,1-3H3,(H,22,24)
InChIKeyAEIKXAVZPDMZAE-UHFFFAOYSA-N
XLogP2.73
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate
CID 3405272
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
[2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride
CID 122714602
[2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-bromophenoxy)acetate
CID 122714595
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide
CID 24532323
2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate
CID 3406198
4-tert-butyl-N-[2-(3,4-dimethylphenoxy)ethyl]benzamide
CID 2225637
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate?
The IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate (CID 3405696) is 2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate.
What is the SMILES notation for 2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate?
The canonical SMILES for 2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate is CC(C)(C)c1ccc(OCC(=O)OCCNC(=O)c2ccncc2)cc1.
What is the InChIKey of 2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate?
The InChIKey is AEIKXAVZPDMZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)16-4-6-17(7-5-16)26-14-18(23)25-13-12-22-19(24)15-8-10-21-11-9-15/h4-11H,12-14H2,1-3H3,(H,22,24).
What are the key properties of 2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate?
2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate has a molecular weight of 356.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate is sourced from PubChem (CID 3405696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).