4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C12H14N2O3 — CID 122199169

IUPAC4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(N)=O)C1c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-14-9(15)7-17-11(12(13)16)10(14)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3,(H2,13,16)
InChIKeyDHCZZVSGKGWMRB-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.07
Rot. Bonds2

About 4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 122199169) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID122199169
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(N)=O)C1c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-14-9(15)7-17-11(12(13)16)10(14)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3,(H2,13,16)
InChIKeyDHCZZVSGKGWMRB-UHFFFAOYSA-N
XLogP0.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Methyl 1-[2-(3-acetamido-3-phenylpropanoyl)oxyacetyl]piperidine-4-carboxylate
CID 3626884
2,2-Dimethyl-1-(3-phenylmorpholin-4-yl)propan-1-one
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(3R,4S)-3-methoxy-1-methylsulfanyl-4-phenylazetidin-2-one
CID 9834446
3-(Acetyloxy)-4-phenyl-2-azetidinone
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(3R-cis)-3-(acetyloxy)-4-phenyl-2-azetidinone
CID 10198157
(3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one
CID 44319641
2,4-Dibenzyl-morpholin-3-one
CID 10468932
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CID 44195698

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of 4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 122199169) is 4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for 4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for 4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CN1C(=O)COC(C(N)=O)C1c1ccccc1.
What is the InChIKey of 4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is DHCZZVSGKGWMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14-9(15)7-17-11(12(13)16)10(14)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3,(H2,13,16).
What are the key properties of 4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 122199169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).