(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide

C17H23FN2O2 — CID 99814956

IUPAC(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(NCCC1CCC1)N1CCO[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C17H23FN2O2/c18-15-6-2-5-14(11-15)16-12-20(9-10-22-16)17(21)19-8-7-13-3-1-4-13/h2,5-6,11,13,16H,1,3-4,7-10,12H2,(H,19,21)/t16-/m1/s1
InChIKeyPSHRKDBTRHCWNH-MRXNPFEDSA-N
MW306.38 g/mol
LogP3.10
Rot. Bonds4

About (2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide

(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide (PubChem CID 99814956) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is (2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
PubChem CID99814956
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(NCCC1CCC1)N1CCO[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C17H23FN2O2/c18-15-6-2-5-14(11-15)16-12-20(9-10-22-16)17(21)19-8-7-13-3-1-4-13/h2,5-6,11,13,16H,1,3-4,7-10,12H2,(H,19,21)/t16-/m1/s1
InChIKeyPSHRKDBTRHCWNH-MRXNPFEDSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425
(2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide
CID 95178874
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide
CID 99775755
1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
2-(3-fluorophenyl)-4-methylmorpholine
CID 77271439
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119770443
N-(6-cyclopropylpyridazin-3-yl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 127624710
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
N-(2-cyclopentylethyl)-2-methylmorpholine-4-carboxamide
CID 78892468
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide (CID 99814956) is (2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide is O=C(NCCC1CCC1)N1CCO[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of (2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is PSHRKDBTRHCWNH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-15-6-2-5-14(11-15)16-12-20(9-10-22-16)17(21)19-8-7-13-3-1-4-13/h2,5-6,11,13,16H,1,3-4,7-10,12H2,(H,19,21)/t16-/m1/s1.
What are the key properties of (2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide?
(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 99814956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).