4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C21H30N2O6 — CID 93337752

IUPAC4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOCC(=O)N1CCO[C@H](CN(C[C@H]2CCCO2)C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C21H30N2O6/c1-26-15-20(24)22-9-11-29-19(13-22)14-23(12-18-4-3-10-28-18)21(25)16-5-7-17(27-2)8-6-16/h5-8,18-19H,3-4,9-15H2,1-2H3/t18-,19+/m1/s1
InChIKeyYVVMSLQDQQZBFS-MOPGFXCFSA-N
MW406.48 g/mol
LogP1.19
Rot. Bonds8

About 4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 93337752) has the molecular formula C21H30N2O6 and a molecular weight of 406.48 g/mol. Its IUPAC name is 4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID93337752
Molecular FormulaC21H30N2O6
Molecular Weight406.48 g/mol
Exact Mass406.21
IUPAC Name4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOCC(=O)N1CCO[C@H](CN(C[C@H]2CCCO2)C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C21H30N2O6/c1-26-15-20(24)22-9-11-29-19(13-22)14-23(12-18-4-3-10-28-18)21(25)16-5-7-17(27-2)8-6-16/h5-8,18-19H,3-4,9-15H2,1-2H3/t18-,19+/m1/s1
InChIKeyYVVMSLQDQQZBFS-MOPGFXCFSA-N
XLogP1.19
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861731
N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45180353
N-[2-(dimethylamino)ethyl]-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861666
N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 42861675
4-methoxy-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42527604
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126443399
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862616
4-fluoro-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46147421

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 93337752) is 4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is COCC(=O)N1CCO[C@H](CN(C[C@H]2CCCO2)C(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of 4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is YVVMSLQDQQZBFS-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H30N2O6/c1-26-15-20(24)22-9-11-29-19(13-22)14-23(12-18-4-3-10-28-18)21(25)16-5-7-17(27-2)8-6-16/h5-8,18-19H,3-4,9-15H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of 4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 406.48 g/mol, XLogP of 1.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 93337752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).