2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide

C22H27ClN2O4 — CID 48626689

IUPAC2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C22H27ClN2O4/c1-17(29-21-8-3-2-7-20(21)23)22(26)24-16-18-5-4-6-19(15-18)28-14-11-25-9-12-27-13-10-25/h2-8,15,17H,9-14,16H2,1H3,(H,24,26)
InChIKeyGPUDTBKADOJALF-UHFFFAOYSA-N
MW418.92 g/mol
LogP3.13
Rot. Bonds9

About 2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide

2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide (PubChem CID 48626689) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
PubChem CID48626689
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC Name2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C22H27ClN2O4/c1-17(29-21-8-3-2-7-20(21)23)22(26)24-16-18-5-4-6-19(15-18)28-14-11-25-9-12-27-13-10-25/h2-8,15,17H,9-14,16H2,1H3,(H,24,26)
InChIKeyGPUDTBKADOJALF-UHFFFAOYSA-N
XLogP3.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189350
1-[2-(2-methoxyphenyl)ethyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48567496
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190446
2-(2-chlorophenoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 46581557
1-(3,4-dichlorophenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60590463

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide (CID 48626689) is 2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide is CC(Oc1ccccc1Cl)C(=O)NCc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide?
The InChIKey is GPUDTBKADOJALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-17(29-21-8-3-2-7-20(21)23)22(26)24-16-18-5-4-6-19(15-18)28-14-11-25-9-12-27-13-10-25/h2-8,15,17H,9-14,16H2,1H3,(H,24,26).
What are the key properties of 2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide?
2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide has a molecular weight of 418.92 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 48626689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).