N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide

C16H24N2O3 — CID 108878254

IUPACN-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1cccc(OCNC(=O)N2CC(C)OC(C)C2)c1C
InChIInChI=1S/C16H24N2O3/c1-11-6-5-7-15(14(11)4)20-10-17-16(19)18-8-12(2)21-13(3)9-18/h5-7,12-13H,8-10H2,1-4H3,(H,17,19)
InChIKeyDIVGPCQGDGPQGE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.46
Rot. Bonds3

About N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide

N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 108878254) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID108878254
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1cccc(OCNC(=O)N2CC(C)OC(C)C2)c1C
InChIInChI=1S/C16H24N2O3/c1-11-6-5-7-15(14(11)4)20-10-17-16(19)18-8-12(2)21-13(3)9-18/h5-7,12-13H,8-10H2,1-4H3,(H,17,19)
InChIKeyDIVGPCQGDGPQGE-UHFFFAOYSA-N
XLogP2.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108877135
N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide
CID 108878383
4-(2-aminoethyl)-N-[(2,3-dimethylphenoxy)methyl]piperazine-1-carboxamide
CID 108878343
N-[(2,3-dimethylphenoxy)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108878483
N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide
CID 108878386
1-(2,6-dimethylmorpholin-4-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 16807205
2,6-dimethyl-N-[(3-methylphenyl)methyl]morpholine-4-carboxamide
CID 108898086
1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylphenoxy)butan-1-one
CID 127115825
ethyl 4-[(2,3-dimethylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate
CID 108878485
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 42958139
4-(2,3-dimethylphenyl)-N-[(2-ethylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893447

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide (CID 108878254) is N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide is Cc1cccc(OCNC(=O)N2CC(C)OC(C)C2)c1C.
What is the InChIKey of N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is DIVGPCQGDGPQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-6-5-7-15(14(11)4)20-10-17-16(19)18-8-12(2)21-13(3)9-18/h5-7,12-13H,8-10H2,1-4H3,(H,17,19).
What are the key properties of N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 108878254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).