2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol

C22H38N2O10 — CID 167448196

IUPAC2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol
SMILESCO.CO.NC(C(=O)NC1C[C@@H](O)CC(CO)O1)c1ccc(O[C@H]2C[C@@H](O)CC(CO)O2)cc1
InChIInChI=1S/C20H30N2O8.2CH4O/c21-19(20(27)22-17-7-12(25)5-15(9-23)28-17)11-1-3-14(4-2-11)29-18-8-13(26)6-16(10-24)30-18;2*1-2/h1-4,12-13,15-19,23-26H,5-10,21H2,(H,22,27);2*2H,1H3/t12-,13-,15?,16?,17?,18+,19?;;/m0../s1
InChIKeyGJROBKLDPVLLPR-SQJLORHISA-N
MW490.55 g/mol
LogP-1.88
Rot. Bonds7

About 2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol

2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol (PubChem CID 167448196) has the molecular formula C22H38N2O10 and a molecular weight of 490.55 g/mol. Its IUPAC name is 2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol.

Molecular Properties

Compound Name2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol
PubChem CID167448196
Molecular FormulaC22H38N2O10
Molecular Weight490.55 g/mol
Exact Mass490.25
IUPAC Name2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol
SMILESCO.CO.NC(C(=O)NC1C[C@@H](O)CC(CO)O1)c1ccc(O[C@H]2C[C@@H](O)CC(CO)O2)cc1
InChIInChI=1S/C20H30N2O8.2CH4O/c21-19(20(27)22-17-7-12(25)5-15(9-23)28-17)11-1-3-14(4-2-11)29-18-8-13(26)6-16(10-24)30-18;2*1-2/h1-4,12-13,15-19,23-26H,5-10,21H2,(H,22,27);2*2H,1H3/t12-,13-,15?,16?,17?,18+,19?;;/m0../s1
InChIKeyGJROBKLDPVLLPR-SQJLORHISA-N
XLogP-1.88
TPSA204.19 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500490.55
LogP ≤ 5-1.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol?
The IUPAC name of 2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol (CID 167448196) is 2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol.
What is the SMILES notation for 2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol?
The canonical SMILES for 2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol is CO.CO.NC(C(=O)NC1C[C@@H](O)CC(CO)O1)c1ccc(O[C@H]2C[C@@H](O)CC(CO)O2)cc1.
What is the InChIKey of 2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol?
The InChIKey is GJROBKLDPVLLPR-SQJLORHISA-N. The full InChI is InChI=1S/C20H30N2O8.2CH4O/c21-19(20(27)22-17-7-12(25)5-15(9-23)28-17)11-1-3-14(4-2-11)29-18-8-13(26)6-16(10-24)30-18;2*1-2/h1-4,12-13,15-19,23-26H,5-10,21H2,(H,22,27);2*2H,1H3/t12-,13-,15?,16?,17?,18+,19?;;/m0../s1.
What are the key properties of 2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol?
2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol has a molecular weight of 490.55 g/mol, XLogP of -1.88, 7 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol is sourced from PubChem (CID 167448196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).