N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide

C23H29FN2O3 — CID 55877177

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(N3CC(C)OC(C)C3)c(F)c2)cc1
InChIInChI=1S/C23H29FN2O3/c1-15-5-8-20(9-6-15)29-18(4)23(27)25-12-19-7-10-22(21(24)11-19)26-13-16(2)28-17(3)14-26/h5-11,16-18H,12-14H2,1-4H3,(H,25,27)
InChIKeyGDOXHCKTYSTOFT-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.83
Rot. Bonds6

About N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide (PubChem CID 55877177) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide
PubChem CID55877177
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(N3CC(C)OC(C)C3)c(F)c2)cc1
InChIInChI=1S/C23H29FN2O3/c1-15-5-8-20(9-6-15)29-18(4)23(27)25-12-19-7-10-22(21(24)11-19)26-13-16(2)28-17(3)14-26/h5-11,16-18H,12-14H2,1-4H3,(H,25,27)
InChIKeyGDOXHCKTYSTOFT-UHFFFAOYSA-N
XLogP3.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea
CID 94679072
2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
CID 94617347
5-chloro-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]furan-2-carboxamide
CID 55877945
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60551160
3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 52505087
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55876674
4-carbamothioyl-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]benzamide
CID 94840333
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 55876538
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-thiophen-2-ylacetamide
CID 55877812

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide (CID 55877177) is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NCc2ccc(N3CC(C)OC(C)C3)c(F)c2)cc1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is GDOXHCKTYSTOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-15-5-8-20(9-6-15)29-18(4)23(27)25-12-19-7-10-22(21(24)11-19)26-13-16(2)28-17(3)14-26/h5-11,16-18H,12-14H2,1-4H3,(H,25,27).
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide?
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 400.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 55877177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).