N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen

C13H27NO2 — CID 169194387

IUPACN-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen
SMILESCC[C@@H](NC(=O)CC1CCOCC1)C(C)C.[H][H]
InChIInChI=1S/C13H25NO2.H2/c1-4-12(10(2)3)14-13(15)9-11-5-7-16-8-6-11;/h10-12H,4-9H2,1-3H3,(H,14,15);1H/t12-;/m1./s1
InChIKeySPAUSSGXIBPPPH-UTONKHPSSA-N
MW229.36 g/mol
LogP2.60
Rot. Bonds5

About N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen

N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen (PubChem CID 169194387) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen
PubChem CID169194387
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen
SMILESCC[C@@H](NC(=O)CC1CCOCC1)C(C)C.[H][H]
InChIInChI=1S/C13H25NO2.H2/c1-4-12(10(2)3)14-13(15)9-11-5-7-16-8-6-11;/h10-12H,4-9H2,1-3H3,(H,14,15);1H/t12-;/m1./s1
InChIKeySPAUSSGXIBPPPH-UTONKHPSSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen?
The IUPAC name of N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen (CID 169194387) is N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen.
What is the SMILES notation for N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen?
The canonical SMILES for N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen is CC[C@@H](NC(=O)CC1CCOCC1)C(C)C.[H][H].
What is the InChIKey of N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen?
The InChIKey is SPAUSSGXIBPPPH-UTONKHPSSA-N. The full InChI is InChI=1S/C13H25NO2.H2/c1-4-12(10(2)3)14-13(15)9-11-5-7-16-8-6-11;/h10-12H,4-9H2,1-3H3,(H,14,15);1H/t12-;/m1./s1.
What are the key properties of N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen?
N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen has a molecular weight of 229.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide;molecular hydrogen is sourced from PubChem (CID 169194387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).