(3S)-3-methyl-N-phenylmorpholine-4-carboxamide

C12H16N2O2 — CID 38887208

IUPAC(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
SMILESC[C@H]1COCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O2/c1-10-9-16-8-7-14(10)12(15)13-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyWJRHQWITGAXGJG-JTQLQIEISA-N
MW220.27 g/mol
LogP1.94
Rot. Bonds1

About (3S)-3-methyl-N-phenylmorpholine-4-carboxamide

(3S)-3-methyl-N-phenylmorpholine-4-carboxamide (PubChem CID 38887208) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3S)-3-methyl-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
PubChem CID38887208
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
SMILESC[C@H]1COCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O2/c1-10-9-16-8-7-14(10)12(15)13-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyWJRHQWITGAXGJG-JTQLQIEISA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide
CID 61342049
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
N-(4-acetylphenyl)-3-phenylmorpholine-4-carboxamide
CID 84525724
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110352618
(3R)-3-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 99714139
2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
CID 81217697
(3S)-N-(4-bromo-2,6-difluorophenyl)-3-methylmorpholine-4-carboxamide
CID 99812243
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
CID 110614350
(3R)-N-(2-ethoxy-3-pyridinyl)-3-methylmorpholine-4-carboxamide
CID 94170218

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-phenylmorpholine-4-carboxamide?
The IUPAC name of (3S)-3-methyl-N-phenylmorpholine-4-carboxamide (CID 38887208) is (3S)-3-methyl-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-phenylmorpholine-4-carboxamide is C[C@H]1COCCN1C(=O)Nc1ccccc1.
What is the InChIKey of (3S)-3-methyl-N-phenylmorpholine-4-carboxamide?
The InChIKey is WJRHQWITGAXGJG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10-9-16-8-7-14(10)12(15)13-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-N-phenylmorpholine-4-carboxamide?
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 38887208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).