4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide

C20H27FN2O4 — CID 110305686

IUPAC4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
SMILESCC(C)C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C20H27FN2O4/c1-14(2)13-17(20(26)23-9-11-27-12-10-23)22-19(25)8-7-18(24)15-3-5-16(21)6-4-15/h3-6,14,17H,7-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyRMQNGBWPYWITKT-KRWDZBQOSA-N
MW378.44 g/mol
LogP2.18
Rot. Bonds8

About 4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide

4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide (PubChem CID 110305686) has the molecular formula C20H27FN2O4 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
PubChem CID110305686
Molecular FormulaC20H27FN2O4
Molecular Weight378.44 g/mol
Exact Mass378.20
IUPAC Name4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
SMILESCC(C)C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C20H27FN2O4/c1-14(2)13-17(20(26)23-9-11-27-12-10-23)22-19(25)8-7-18(24)15-3-5-16(21)6-4-15/h3-6,14,17H,7-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyRMQNGBWPYWITKT-KRWDZBQOSA-N
XLogP2.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305687
4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide
CID 110306181
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide
CID 110353983
5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid
CID 174790333
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]acetamide
CID 110351359
4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
CID 9148546
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134
3-(3-chlorophenyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)propanamide
CID 110625547
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 119587580
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide (CID 110305686) is 4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide is CC(C)C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide?
The InChIKey is RMQNGBWPYWITKT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27FN2O4/c1-14(2)13-17(20(26)23-9-11-27-12-10-23)22-19(25)8-7-18(24)15-3-5-16(21)6-4-15/h3-6,14,17H,7-13H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide?
4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide has a molecular weight of 378.44 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide is sourced from PubChem (CID 110305686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).