N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide

C21H26N2O3 — CID 75814355

IUPACN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C21H26N2O3/c1-17(26-20-8-3-2-4-9-20)21(24)22-15-18-6-5-7-19(14-18)16-23-10-12-25-13-11-23/h2-9,14,17H,10-13,15-16H2,1H3,(H,22,24)
InChIKeyZMLDANIZYPANIS-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.60
Rot. Bonds7

About N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide (PubChem CID 75814355) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
PubChem CID75814355
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C21H26N2O3/c1-17(26-20-8-3-2-4-9-20)21(24)22-15-18-6-5-7-19(14-18)16-23-10-12-25-13-11-23/h2-9,14,17H,10-13,15-16H2,1H3,(H,22,24)
InChIKeyZMLDANIZYPANIS-UHFFFAOYSA-N
XLogP2.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94099373
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190446
2-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 51327676
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-propan-2-yloxybenzamide
CID 94134147
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 99818249
2-(4-chloro-3,5-dimethylphenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189337
(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide
CID 27889691
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 42919488
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133190452
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049

Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide (CID 75814355) is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide?
The InChIKey is ZMLDANIZYPANIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-17(26-20-8-3-2-4-9-20)21(24)22-15-18-6-5-7-19(14-18)16-23-10-12-25-13-11-23/h2-9,14,17H,10-13,15-16H2,1H3,(H,22,24).
What are the key properties of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide?
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide has a molecular weight of 354.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide is sourced from PubChem (CID 75814355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).