3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide

C18H26FN3O3 — CID 110305497

IUPAC3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C18H26FN3O3/c1-14(12-15-2-4-16(19)5-3-15)18(24)21-13-17(23)20-6-7-22-8-10-25-11-9-22/h2-5,14H,6-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyLBFOQUKUQGPINP-UHFFFAOYSA-N
MW351.42 g/mol
LogP0.57
Rot. Bonds8

About 3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide

3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide (PubChem CID 110305497) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide
PubChem CID110305497
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C18H26FN3O3/c1-14(12-15-2-4-16(19)5-3-15)18(24)21-13-17(23)20-6-7-22-8-10-25-11-9-22/h2-5,14H,6-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyLBFOQUKUQGPINP-UHFFFAOYSA-N
XLogP0.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994887
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110625276
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 121452302
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
2-amino-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 126595681
3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110303417
(2R)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 93486880
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride
CID 119863888
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 48846361
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide (CID 110305497) is 3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide is CC(Cc1ccc(F)cc1)C(=O)NCC(=O)NCCN1CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide?
The InChIKey is LBFOQUKUQGPINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-14(12-15-2-4-16(19)5-3-15)18(24)21-13-17(23)20-6-7-22-8-10-25-11-9-22/h2-5,14H,6-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide?
3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide has a molecular weight of 351.42 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 110305497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).