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

C23H28N2O4 — CID 16894912

IUPAC2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
SMILESCc1ccc(OCC(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C23H28N2O4/c1-18-9-11-20(12-10-18)29-17-22(26)24-13-5-8-23(27)25-14-15-28-21(16-25)19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H,24,26)
InChIKeyLAINWELZBHMQGP-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.87
Rot. Bonds8

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

2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide (PubChem CID 16894912) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
PubChem CID16894912
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
SMILESCc1ccc(OCC(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C23H28N2O4/c1-18-9-11-20(12-10-18)29-17-22(26)24-13-5-8-23(27)25-14-15-28-21(16-25)19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H,24,26)
InChIKeyLAINWELZBHMQGP-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.87
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-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894896
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-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851152
2-phenoxy-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 27557858
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
CID 16895045
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895016
2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894900
2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134838

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide (CID 16894912) is 2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide is Cc1ccc(OCC(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
The InChIKey is LAINWELZBHMQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-18-9-11-20(12-10-18)29-17-22(26)24-13-5-8-23(27)25-14-15-28-21(16-25)19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3,(H,24,26).
What are the key properties of 2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide is sourced from PubChem (CID 16894912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).