N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide

C23H28N2O4 — CID 51207835

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-22(26)18-7-9-21(10-8-18)29-17-23(27)24-15-19-5-3-4-6-20(19)16-25-11-13-28-14-12-25/h3-10H,2,11-17H2,1H3,(H,24,27)
InChIKeyUWDNVJJZNLHXKV-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.81
Rot. Bonds9

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 51207835) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID51207835
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-22(26)18-7-9-21(10-8-18)29-17-23(27)24-15-19-5-3-4-6-20(19)16-25-11-13-28-14-12-25/h3-10H,2,11-17H2,1H3,(H,24,27)
InChIKeyUWDNVJJZNLHXKV-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55396567
N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide
CID 46578551
2-(2,3-dimethylphenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887006
2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 36554280
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylmethoxyacetamide
CID 134015077
2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142712
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(4-propanoylphenoxy)acetamide
CID 18157786
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24507691

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide (CID 51207835) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is UWDNVJJZNLHXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-22(26)18-7-9-21(10-8-18)29-17-23(27)24-15-19-5-3-4-6-20(19)16-25-11-13-28-14-12-25/h3-10H,2,11-17H2,1H3,(H,24,27).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.81, 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-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 51207835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).