N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide

C20H28N2O3 — CID 110367922

IUPACN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide
SMILESCc1cc(C)cc(N2CC(CNC(=O)C3CCCCC3)OCC2=O)c1
InChIInChI=1S/C20H28N2O3/c1-14-8-15(2)10-17(9-14)22-12-18(25-13-19(22)23)11-21-20(24)16-6-4-3-5-7-16/h8-10,16,18H,3-7,11-13H2,1-2H3,(H,21,24)
InChIKeyFITGHRFYYUYDFP-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.73
Rot. Bonds4

About N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide

N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 110367922) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide
PubChem CID110367922
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide
SMILESCc1cc(C)cc(N2CC(CNC(=O)C3CCCCC3)OCC2=O)c1
InChIInChI=1S/C20H28N2O3/c1-14-8-15(2)10-17(9-14)22-12-18(25-13-19(22)23)11-21-20(24)16-6-4-3-5-7-16/h8-10,16,18H,3-7,11-13H2,1-2H3,(H,21,24)
InChIKeyFITGHRFYYUYDFP-UHFFFAOYSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide
CID 110367930
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide
CID 110367951
1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367958
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 110367989
2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367084
1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367243
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
CID 110367994
(3R)-1-(3-methylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93017593
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213
N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
CID 97180814
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 40965916

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide (CID 110367922) is N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide is Cc1cc(C)cc(N2CC(CNC(=O)C3CCCCC3)OCC2=O)c1.
What is the InChIKey of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is FITGHRFYYUYDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-8-15(2)10-17(9-14)22-12-18(25-13-19(22)23)11-21-20(24)16-6-4-3-5-7-16/h8-10,16,18H,3-7,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide?
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 110367922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).