2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C22H25N3O3 — CID 42919488

IUPAC2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H25N3O3/c1-17(28-21-8-6-18(14-23)7-9-21)22(26)24-15-19-2-4-20(5-3-19)16-25-10-12-27-13-11-25/h2-9,17H,10-13,15-16H2,1H3,(H,24,26)
InChIKeyKWXFXJZPLMUZBC-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.47
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 42919488) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID42919488
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H25N3O3/c1-17(28-21-8-6-18(14-23)7-9-21)22(26)24-15-19-2-4-20(5-3-19)16-25-10-12-27-13-11-25/h2-9,17H,10-13,15-16H2,1H3,(H,24,26)
InChIKeyKWXFXJZPLMUZBC-UHFFFAOYSA-N
XLogP2.47
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 51327676
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 42951632
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721
2-(4-methoxyphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767803
(2S)-2-(4-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31591923
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 42919488) is 2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is KWXFXJZPLMUZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-17(28-21-8-6-18(14-23)7-9-21)22(26)24-15-19-2-4-20(5-3-19)16-25-10-12-27-13-11-25/h2-9,17H,10-13,15-16H2,1H3,(H,24,26).
What are the key properties of 2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 42919488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).