(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide

C13H18N2O2 — CID 16681349

IUPAC(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1COCCN1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(11-5-3-2-4-6-11)15-13(16)12-9-17-8-7-14-12/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)/t10-,12+/m0/s1
InChIKeyHLLYZUUWLMKSJE-CMPLNLGQSA-N
MW234.30 g/mol
LogP0.85
Rot. Bonds3

About (3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide

(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide (PubChem CID 16681349) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
PubChem CID16681349
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1COCCN1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(11-5-3-2-4-6-11)15-13(16)12-9-17-8-7-14-12/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)/t10-,12+/m0/s1
InChIKeyHLLYZUUWLMKSJE-CMPLNLGQSA-N
XLogP0.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119686030
N-[(1S)-2-hydroxy-1-phenylethyl]morpholine-3-carboxamide
CID 107862923
N-[1-(1-benzofuran-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119691689
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 119899645
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119778931
N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119750954
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide
CID 119721184
(3S)-N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]morpholine-3-carboxamide
CID 129414950
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]morpholine-3-carboxamide
CID 107861025

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide (CID 16681349) is (3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide is C[C@H](NC(=O)[C@H]1COCCN1)c1ccccc1.
What is the InChIKey of (3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide?
The InChIKey is HLLYZUUWLMKSJE-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(11-5-3-2-4-6-11)15-13(16)12-9-17-8-7-14-12/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)/t10-,12+/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide?
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide is sourced from PubChem (CID 16681349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).