2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide

C19H30N2O3 — CID 129483580

IUPAC2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCc1cccc(CN2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)c1
InChIInChI=1S/C19H30N2O3/c1-15-7-6-8-16(9-15)10-21-11-17(24-19(2,3)14-21)12-23-13-18(22)20(4)5/h6-9,17H,10-14H2,1-5H3/t17-/m0/s1
InChIKeyZXVFFNSQPGXOIB-KRWDZBQOSA-N
MW334.46 g/mol
LogP2.08
Rot. Bonds6

About 2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide

2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 129483580) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
PubChem CID129483580
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCc1cccc(CN2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)c1
InChIInChI=1S/C19H30N2O3/c1-15-7-6-8-16(9-15)10-21-11-17(24-19(2,3)14-21)12-23-13-18(22)20(4)5/h6-9,17H,10-14H2,1-5H3/t17-/m0/s1
InChIKeyZXVFFNSQPGXOIB-KRWDZBQOSA-N
XLogP2.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

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-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129350879
2-[[(2S)-6,6-dimethyl-4-[(1-methylpyrrol-2-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482410
2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 167981380
2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 154739970
2-[[(2R)-4-(1H-imidazol-5-ylmethyl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482312
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-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide
CID 124807506
2-[[(2R)-4-(3-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129484491
N,N-dimethyl-2-[[(6R)-8-[(3-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 97484377

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide (CID 129483580) is 2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide is Cc1cccc(CN2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)c1.
What is the InChIKey of 2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is ZXVFFNSQPGXOIB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15-7-6-8-16(9-15)10-21-11-17(24-19(2,3)14-21)12-23-13-18(22)20(4)5/h6-9,17H,10-14H2,1-5H3/t17-/m0/s1.
What are the key properties of 2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide?
2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 334.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 129483580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).