N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide

C23H28N2O4 — CID 46578551

IUPACN-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-22(26)19-8-10-20(11-9-19)29-17-23(27)24-16-21(18-6-4-3-5-7-18)25-12-14-28-15-13-25/h3-11,21H,2,12-17H2,1H3,(H,24,27)
InChIKeyIMYUXWXYUCKVJZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.85
Rot. Bonds9

About N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide

N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 46578551) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID46578551
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-22(26)19-8-10-20(11-9-19)29-17-23(27)24-16-21(18-6-4-3-5-7-18)25-12-14-28-15-13-25/h3-11,21H,2,12-17H2,1H3,(H,24,27)
InChIKeyIMYUXWXYUCKVJZ-UHFFFAOYSA-N
XLogP2.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 112503607
N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-phenoxyacetamide
CID 35578113
N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 45155087
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(4-propanoylphenoxy)acetamide
CID 18157786
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 7496663
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 34949571
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112793405
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 31419969
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 55888026
N-(2-morpholin-4-yl-2-phenylethyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 46569876

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide (CID 46578551) is N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCC(c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is IMYUXWXYUCKVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-22(26)19-8-10-20(11-9-19)29-17-23(27)24-16-21(18-6-4-3-5-7-18)25-12-14-28-15-13-25/h3-11,21H,2,12-17H2,1H3,(H,24,27).
What are the key properties of N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide?
N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 46578551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).