2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide

C19H30N2O4 — CID 167981380

IUPAC2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCOc1ccccc1CN1CC(COCC(=O)N(C)C)OC(C)(C)C1
InChIInChI=1S/C19H30N2O4/c1-19(2)14-21(10-15-8-6-7-9-17(15)23-5)11-16(25-19)12-24-13-18(22)20(3)4/h6-9,16H,10-14H2,1-5H3
InChIKeyFQRBEEFCJUHRJR-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.78
Rot. Bonds7

About 2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide

2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 167981380) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
PubChem CID167981380
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCOc1ccccc1CN1CC(COCC(=O)N(C)C)OC(C)(C)C1
InChIInChI=1S/C19H30N2O4/c1-19(2)14-21(10-15-8-6-7-9-17(15)23-5)11-16(25-19)12-24-13-18(22)20(3)4/h6-9,16H,10-14H2,1-5H3
InChIKeyFQRBEEFCJUHRJR-UHFFFAOYSA-N
XLogP1.78
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129350879
2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482251
2-[[4-[(3,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128975967
2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482524
2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 154739970
2-[[6,6-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128976078
2-[[6,6-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128976013
2-[[6,6-dimethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128975963
2-[[(2R)-4-(3-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129484491
2-[(6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methoxy]-N,N-dimethylacetamide
CID 128977543
2-[[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155843594
2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128977522

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide (CID 167981380) is 2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide is COc1ccccc1CN1CC(COCC(=O)N(C)C)OC(C)(C)C1.
What is the InChIKey of 2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is FQRBEEFCJUHRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-19(2)14-21(10-15-8-6-7-9-17(15)23-5)11-16(25-19)12-24-13-18(22)20(3)4/h6-9,16H,10-14H2,1-5H3.
What are the key properties of 2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 350.46 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 167981380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).