(2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide

C21H26N2O3 — CID 95705953

IUPAC(2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide
SMILESC[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-16(22-21(24)17(2)26-20-6-4-3-5-7-20)18-8-10-19(11-9-18)23-12-14-25-15-13-23/h3-11,16-17H,12-15H2,1-2H3,(H,22,24)/t16-,17+/m0/s1
InChIKeyCCUVXFSFEFLONV-DLBZAZTESA-N
MW354.45 g/mol
LogP3.17
Rot. Bonds6

About (2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide

(2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide (PubChem CID 95705953) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide
PubChem CID95705953
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide
SMILESC[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-16(22-21(24)17(2)26-20-6-4-3-5-7-20)18-8-10-19(11-9-18)23-12-14-25-15-13-23/h3-11,16-17H,12-15H2,1-2H3,(H,22,24)/t16-,17+/m0/s1
InChIKeyCCUVXFSFEFLONV-DLBZAZTESA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48664298
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48681424
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
CID 132651097
N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133210391
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132660324
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide (CID 95705953) is (2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide is C[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide?
The InChIKey is CCUVXFSFEFLONV-DLBZAZTESA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(22-21(24)17(2)26-20-6-4-3-5-7-20)18-8-10-19(11-9-18)23-12-14-25-15-13-23/h3-11,16-17H,12-15H2,1-2H3,(H,22,24)/t16-,17+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide?
(2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide has a molecular weight of 354.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 95705953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).