(2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one

C23H33FN2O2 — CID 124844972

IUPAC(2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one
SMILESO=C([C@@H](CNC(C1CCC1)C1CCC1)Cc1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C23H33FN2O2/c24-21-9-1-4-17(15-21)14-20(23(27)26-10-12-28-13-11-26)16-25-22(18-5-2-6-18)19-7-3-8-19/h1,4,9,15,18-20,22,25H,2-3,5-8,10-14,16H2/t20-/m1/s1
InChIKeyHDVJRSNSOQHESH-HXUWFJFHSA-N
MW388.53 g/mol
LogP3.40
Rot. Bonds8

About (2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one

(2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 124844972) has the molecular formula C23H33FN2O2 and a molecular weight of 388.53 g/mol. Its IUPAC name is (2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID124844972
Molecular FormulaC23H33FN2O2
Molecular Weight388.53 g/mol
Exact Mass388.25
IUPAC Name(2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one
SMILESO=C([C@@H](CNC(C1CCC1)C1CCC1)Cc1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C23H33FN2O2/c24-21-9-1-4-17(15-21)14-20(23(27)26-10-12-28-13-11-26)16-25-22(18-5-2-6-18)19-7-3-8-19/h1,4,9,15,18-20,22,25H,2-3,5-8,10-14,16H2/t20-/m1/s1
InChIKeyHDVJRSNSOQHESH-HXUWFJFHSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 119051980
N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide
CID 100733075
N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide
CID 100735065
2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one
CID 79971868
2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 61343576
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
(2S)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250770
(2R)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250771
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840
2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63100231
2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one
CID 110608661
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one (CID 124844972) is (2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one is O=C([C@@H](CNC(C1CCC1)C1CCC1)Cc1cccc(F)c1)N1CCOCC1.
What is the InChIKey of (2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is HDVJRSNSOQHESH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H33FN2O2/c24-21-9-1-4-17(15-21)14-20(23(27)26-10-12-28-13-11-26)16-25-22(18-5-2-6-18)19-7-3-8-19/h1,4,9,15,18-20,22,25H,2-3,5-8,10-14,16H2/t20-/m1/s1.
What are the key properties of (2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one?
(2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 388.53 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 124844972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).