4-methyl-N-phenylmorpholine-2-carboxamide

C12H16N2O2 — CID 20524995

IUPAC4-methyl-N-phenylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c1-14-7-8-16-11(9-14)12(15)13-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)
InChIKeyAPLCJZFKHPZFRS-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.96
Rot. Bonds2

About 4-methyl-N-phenylmorpholine-2-carboxamide

4-methyl-N-phenylmorpholine-2-carboxamide (PubChem CID 20524995) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-methyl-N-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenylmorpholine-2-carboxamide
PubChem CID20524995
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-methyl-N-phenylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c1-14-7-8-16-11(9-14)12(15)13-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)
InChIKeyAPLCJZFKHPZFRS-UHFFFAOYSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
CID 97041956
N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide
CID 111719911
N-(2-hydroxy-1-phenylethyl)-4-methylmorpholine-2-carboxamide
CID 110001398
N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide
CID 75470295
4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide
CID 127412838
(2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide
CID 92633187
N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide
CID 71973219
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
CID 124732140
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
N-[2-(3,5-difluorophenoxy)phenyl]-4-methylmorpholine-2-carboxamide
CID 71919695

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenylmorpholine-2-carboxamide?
The IUPAC name of 4-methyl-N-phenylmorpholine-2-carboxamide (CID 20524995) is 4-methyl-N-phenylmorpholine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-phenylmorpholine-2-carboxamide?
The canonical SMILES for 4-methyl-N-phenylmorpholine-2-carboxamide is CN1CCOC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 4-methyl-N-phenylmorpholine-2-carboxamide?
The InChIKey is APLCJZFKHPZFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-7-8-16-11(9-14)12(15)13-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15).
What are the key properties of 4-methyl-N-phenylmorpholine-2-carboxamide?
4-methyl-N-phenylmorpholine-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 20524995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).