N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide

C21H23N3O3 — CID 24546062

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)NCC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H23N3O3/c22-12-17-6-8-19(9-7-17)27-16-21(25)23-13-20-15-24(10-11-26-20)14-18-4-2-1-3-5-18/h1-9,20H,10-11,13-16H2,(H,23,25)
InChIKeyJDZTYMBDDFXDAV-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.95
Rot. Bonds7

About N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide

N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide (PubChem CID 24546062) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
PubChem CID24546062
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)NCC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H23N3O3/c22-12-17-6-8-19(9-7-17)27-16-21(25)23-13-20-15-24(10-11-26-20)14-18-4-2-1-3-5-18/h1-9,20H,10-11,13-16H2,(H,23,25)
InChIKeyJDZTYMBDDFXDAV-UHFFFAOYSA-N
XLogP1.95
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide
CID 78789738
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethoxy]benzoic acid
CID 68964587
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
N-[(4-benzylmorpholin-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 42895596
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26900131
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
2-(4-benzoylphenoxy)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 8511173
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide (CID 24546062) is N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide is N#Cc1ccc(OCC(=O)NCC2CN(Cc3ccccc3)CCO2)cc1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide?
The InChIKey is JDZTYMBDDFXDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c22-12-17-6-8-19(9-7-17)27-16-21(25)23-13-20-15-24(10-11-26-20)14-18-4-2-1-3-5-18/h1-9,20H,10-11,13-16H2,(H,23,25).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide?
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide has a molecular weight of 365.43 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 24546062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).