2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C20H31N3O5 — CID 54642151

IUPAC2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)C[C@@H]1CC[C@H](NC(=O)CN(C)C)[C@@H](CO)O1
InChIInChI=1S/C20H31N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-7,15-16,18,24H,8-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,18+/m0/s1
InChIKeyRWNJDCVIKVVTPT-XYJFISCASA-N
MW393.48 g/mol
LogP0.29
Rot. Bonds9

About 2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 54642151) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID54642151
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Name2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)C[C@@H]1CC[C@H](NC(=O)CN(C)C)[C@@H](CO)O1
InChIInChI=1S/C20H31N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-7,15-16,18,24H,8-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,18+/m0/s1
InChIKeyRWNJDCVIKVVTPT-XYJFISCASA-N
XLogP0.29
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyacetyl)amino]oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 54640099
2-[(2S,3S,6S)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 54638437
2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 54646679
N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
CID 54644856
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
N-[(2R,3R,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
CID 54639164
N-[(2-fluorophenyl)methyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]acetamide
CID 54640319
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-cyclopropylacetamide
CID 54648310
N-[(3-fluorophenyl)methyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]oxan-2-yl]acetamide
CID 54639078
2-(2,3-dihydro-1-benzofuran-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110753758
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]oxan-3-yl]-1,3-benzodioxole-5-carboxamide
CID 54642549
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54644273

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 54642151) is 2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)C[C@@H]1CC[C@H](NC(=O)CN(C)C)[C@@H](CO)O1.
What is the InChIKey of 2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is RWNJDCVIKVVTPT-XYJFISCASA-N. The full InChI is InChI=1S/C20H31N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-7,15-16,18,24H,8-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,18+/m0/s1.
What are the key properties of 2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 393.48 g/mol, XLogP of 0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S,6S)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 54642151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).