N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide

C18H25FN2O3 — CID 97218270

IUPACN-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)CCc2ccccc2F)CCO1
InChIInChI=1S/C18H25FN2O3/c1-13(7-8-15-5-3-4-6-17(15)19)18(23)21-9-10-24-16(12-21)11-20-14(2)22/h3-6,13,16H,7-12H2,1-2H3,(H,20,22)/t13-,16+/m0/s1
InChIKeyUOBAJZYOTGUQGQ-XJKSGUPXSA-N
MW336.41 g/mol
LogP1.76
Rot. Bonds6

About N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide

N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide (PubChem CID 97218270) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
PubChem CID97218270
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)CCc2ccccc2F)CCO1
InChIInChI=1S/C18H25FN2O3/c1-13(7-8-15-5-3-4-6-17(15)19)18(23)21-9-10-24-16(12-21)11-20-14(2)22/h3-6,13,16H,7-12H2,1-2H3,(H,20,22)/t13-,16+/m0/s1
InChIKeyUOBAJZYOTGUQGQ-XJKSGUPXSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
CID 75374460
(2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 124687905
N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide
CID 124610150
(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 124688847
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110414688
N-[[4-[2-amino-2-(4-methylphenyl)acetyl]morpholin-2-yl]methyl]acetamide
CID 120668553
N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide
CID 91943104
4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 119216750
1-(1,4-diazepan-1-yl)-4-(2-fluorophenyl)-2-methylbutan-1-one;hydrochloride
CID 119415154
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
2-(2-fluorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64534692
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide (CID 97218270) is N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide is CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)CCc2ccccc2F)CCO1.
What is the InChIKey of N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide?
The InChIKey is UOBAJZYOTGUQGQ-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-13(7-8-15-5-3-4-6-17(15)19)18(23)21-9-10-24-16(12-21)11-20-14(2)22/h3-6,13,16H,7-12H2,1-2H3,(H,20,22)/t13-,16+/m0/s1.
What are the key properties of N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide?
N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 97218270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).