2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide

C19H30N2O4 — CID 155996833

IUPAC2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)CN(CC(=O)NCCc1ccccc1)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C19H30N2O4/c1-14(2)10-21(16-12-25-13-17(22)19(16)24)11-18(23)20-9-8-15-6-4-3-5-7-15/h3-7,14,16-17,19,22,24H,8-13H2,1-2H3,(H,20,23)/t16-,17-,19+/m1/s1
InChIKeyCFWWIESVJJLDHA-LMMKCTJWSA-N
MW350.46 g/mol
LogP0.42
Rot. Bonds8

About 2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide

2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 155996833) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID155996833
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)CN(CC(=O)NCCc1ccccc1)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C19H30N2O4/c1-14(2)10-21(16-12-25-13-17(22)19(16)24)11-18(23)20-9-8-15-6-4-3-5-7-15/h3-7,14,16-17,19,22,24H,8-13H2,1-2H3,(H,20,23)/t16-,17-,19+/m1/s1
InChIKeyCFWWIESVJJLDHA-LMMKCTJWSA-N
XLogP0.42
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide (CID 155996833) is 2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide is CC(C)CN(CC(=O)NCCc1ccccc1)[C@@H]1COC[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is CFWWIESVJJLDHA-LMMKCTJWSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-14(2)10-21(16-12-25-13-17(22)19(16)24)11-18(23)20-9-8-15-6-4-3-5-7-15/h3-7,14,16-17,19,22,24H,8-13H2,1-2H3,(H,20,23)/t16-,17-,19+/m1/s1.
What are the key properties of 2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 350.46 g/mol, XLogP of 0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 155996833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).