3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one

C18H27FN2O2 — CID 99822392

IUPAC3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](NCCC(=O)N1CCOCC1)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O2/c1-14(18(2,3)15-4-6-16(19)7-5-15)20-9-8-17(22)21-10-12-23-13-11-21/h4-7,14,20H,8-13H2,1-3H3/t14-/m0/s1
InChIKeyRVIMVKGBTYTLQI-AWEZNQCLSA-N
MW322.42 g/mol
LogP2.33
Rot. Bonds6

About 3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one

3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 99822392) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one
PubChem CID99822392
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](NCCC(=O)N1CCOCC1)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O2/c1-14(18(2,3)15-4-6-16(19)7-5-15)20-9-8-17(22)21-10-12-23-13-11-21/h4-7,14,20H,8-13H2,1-3H3/t14-/m0/s1
InChIKeyRVIMVKGBTYTLQI-AWEZNQCLSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
N-[2-(4-fluorophenyl)-2-hydroxypropyl]morpholine-4-carboxamide
CID 110291409
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713460
3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 114871820
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
CID 109015777
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103295108
N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 51125754
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one (CID 99822392) is 3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one is C[C@H](NCCC(=O)N1CCOCC1)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is RVIMVKGBTYTLQI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-14(18(2,3)15-4-6-16(19)7-5-15)20-9-8-17(22)21-10-12-23-13-11-21/h4-7,14,20H,8-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one?
3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 322.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 99822392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).