N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide

C16H24N2O3 — CID 42958139

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H24N2O3/c1-12-9-18(10-13(2)21-12)16(19)17-8-14-6-4-5-7-15(14)11-20-3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)
InChIKeyDFRAUVACZKPYAS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.15
Rot. Bonds4

About N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 42958139) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID42958139
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H24N2O3/c1-12-9-18(10-13(2)21-12)16(19)17-8-14-6-4-5-7-15(14)11-20-3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)
InChIKeyDFRAUVACZKPYAS-UHFFFAOYSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51291268
(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 95641004
(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 35669651
4-(hydroxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 110896115
2-[2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]phenyl]acetic acid
CID 81311304
4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 86851308
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
N-[(4-chlorophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108899201
2,6-dimethyl-N-[(3-methylphenyl)methyl]morpholine-4-carboxamide
CID 108898086
N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503887
N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108877135

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide (CID 42958139) is N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide is COCc1ccccc1CNC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is DFRAUVACZKPYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-9-18(10-13(2)21-12)16(19)17-8-14-6-4-5-7-15(14)11-20-3/h4-7,12-13H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 42958139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).