2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide

C26H34N2O4 — CID 16894896

IUPAC2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C26H34N2O4/c1-26(2,3)21-11-13-22(14-12-21)32-19-24(29)27-15-7-10-25(30)28-16-17-31-23(18-28)20-8-5-4-6-9-20/h4-6,8-9,11-14,23H,7,10,15-19H2,1-3H3,(H,27,29)
InChIKeyVIPUURISYRPCNX-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.86
Rot. Bonds8

About 2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide

2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide (PubChem CID 16894896) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
PubChem CID16894896
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C26H34N2O4/c1-26(2,3)21-11-13-22(14-12-21)32-19-24(29)27-15-7-10-25(30)28-16-17-31-23(18-28)20-8-5-4-6-9-20/h4-6,8-9,11-14,23H,7,10,15-19H2,1-3H3,(H,27,29)
InChIKeyVIPUURISYRPCNX-UHFFFAOYSA-N
XLogP3.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.86
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

2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894912
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
CID 16894872
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
2-(4-chlorophenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 27375916
2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134838
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
CID 16895045
2-phenoxy-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 27557858
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894900
2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851152
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide (CID 16894896) is 2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
The InChIKey is VIPUURISYRPCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-26(2,3)21-11-13-22(14-12-21)32-19-24(29)27-15-7-10-25(30)28-16-17-31-23(18-28)20-8-5-4-6-9-20/h4-6,8-9,11-14,23H,7,10,15-19H2,1-3H3,(H,27,29).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide has a molecular weight of 438.57 g/mol, XLogP of 3.86, 8 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-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide is sourced from PubChem (CID 16894896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).