2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide

C21H25ClN2O4 — CID 84559932

IUPAC2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(C(O)CCN2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O4/c22-17-3-7-19(8-4-17)28-15-21(26)23-18-5-1-16(2-6-18)20(25)9-10-24-11-13-27-14-12-24/h1-8,20,25H,9-15H2,(H,23,26)
InChIKeyDTKACWIHFVVKNF-UHFFFAOYSA-N
MW404.89 g/mol
LogP3.11
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide

2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide (PubChem CID 84559932) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
PubChem CID84559932
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(C(O)CCN2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O4/c22-17-3-7-19(8-4-17)28-15-21(26)23-18-5-1-16(2-6-18)20(25)9-10-24-11-13-27-14-12-24/h1-8,20,25H,9-15H2,(H,23,26)
InChIKeyDTKACWIHFVVKNF-UHFFFAOYSA-N
XLogP3.11
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
CID 84558804
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 82073802
2-(4-chlorophenoxy)-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
CID 666438
2-(4-chlorophenoxy)-N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637403
2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68850357
5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide
CID 84559000
N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]oxolane-2-carboxamide
CID 84560052
N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide
CID 84558640
3-morpholin-4-yl-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82105505
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 42857371

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide (CID 84559932) is 2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc(C(O)CCN2CCOCC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide?
The InChIKey is DTKACWIHFVVKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c22-17-3-7-19(8-4-17)28-15-21(26)23-18-5-1-16(2-6-18)20(25)9-10-24-11-13-27-14-12-24/h1-8,20,25H,9-15H2,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide?
2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide has a molecular weight of 404.89 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide is sourced from PubChem (CID 84559932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).