4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide

C23H37FN2O4 — CID 92984239

IUPAC4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)COC[C@@H](O)CN1CCO[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H37FN2O4/c1-17(2)11-26(23(28)19-5-7-20(24)8-6-19)14-22-13-25(9-10-30-22)12-21(27)16-29-15-18(3)4/h5-8,17-18,21-22,27H,9-16H2,1-4H3/t21-,22-/m0/s1
InChIKeyLGAIMUBKPTYZNE-VXKWHMMOSA-N
MW424.56 g/mol
LogP2.66
Rot. Bonds11

About 4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide

4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 92984239) has the molecular formula C23H37FN2O4 and a molecular weight of 424.56 g/mol. Its IUPAC name is 4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID92984239
Molecular FormulaC23H37FN2O4
Molecular Weight424.56 g/mol
Exact Mass424.27
IUPAC Name4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)COC[C@@H](O)CN1CCO[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H37FN2O4/c1-17(2)11-26(23(28)19-5-7-20(24)8-6-19)14-22-13-25(9-10-30-22)12-21(27)16-29-15-18(3)4/h5-8,17-18,21-22,27H,9-16H2,1-4H3/t21-,22-/m0/s1
InChIKeyLGAIMUBKPTYZNE-VXKWHMMOSA-N
XLogP2.66
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42849374
N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060142
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 92989390
4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 92989592
N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92989608
3-fluoro-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46060233
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99729601
N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 100543008
N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 99731552
4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 99731766
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99732290

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide (CID 92984239) is 4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide is CC(C)COC[C@@H](O)CN1CCO[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is LGAIMUBKPTYZNE-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H37FN2O4/c1-17(2)11-26(23(28)19-5-7-20(24)8-6-19)14-22-13-25(9-10-30-22)12-21(27)16-29-15-18(3)4/h5-8,17-18,21-22,27H,9-16H2,1-4H3/t21-,22-/m0/s1.
What are the key properties of 4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 424.56 g/mol, XLogP of 2.66, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 92984239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).