(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide

C17H24N2O3 — CID 99846749

IUPAC(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
SMILESO=C(N[C@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H24N2O3/c20-17(18-15-7-4-9-21-13-15)16-12-19(8-10-22-16)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,18,20)/t15-,16-/m0/s1
InChIKeyQECLGYKLLCJVCE-HOTGVXAUSA-N
MW304.39 g/mol
LogP1.18
Rot. Bonds4

About (2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide

(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide (PubChem CID 99846749) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
PubChem CID99846749
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
SMILESO=C(N[C@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H24N2O3/c20-17(18-15-7-4-9-21-13-15)16-12-19(8-10-22-16)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,18,20)/t15-,16-/m0/s1
InChIKeyQECLGYKLLCJVCE-HOTGVXAUSA-N
XLogP1.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
CID 155981047
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
1-benzyl-N-(oxolan-3-yl)piperidin-3-amine
CID 64590674
2-amino-N-(oxan-3-yl)-3-phenylpropanamide
CID 63361697
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
4-N-(1-benzylpiperidin-4-yl)morpholine-2,4-dicarboxamide
CID 49471723
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 136527577
(2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide
CID 95851830

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide (CID 99846749) is (2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide is O=C(N[C@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide?
The InChIKey is QECLGYKLLCJVCE-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(18-15-7-4-9-21-13-15)16-12-19(8-10-22-16)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,18,20)/t15-,16-/m0/s1.
What are the key properties of (2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide?
(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide is sourced from PubChem (CID 99846749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).