N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide

C16H31NO2 — CID 59967442

IUPACN-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide
SMILESCC[C@@H](C)[C@@H](C)C1OC(C)(C)CC(C)C1NC(C)=O
InChIInChI=1S/C16H31NO2/c1-8-10(2)12(4)15-14(17-13(5)18)11(3)9-16(6,7)19-15/h10-12,14-15H,8-9H2,1-7H3,(H,17,18)/t10-,11?,12-,14?,15?/m1/s1
InChIKeyDRMATMSHKQHKIF-MASVLEMTSA-N
MW269.43 g/mol
LogP3.38
Rot. Bonds4

About N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide

N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide (PubChem CID 59967442) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide
PubChem CID59967442
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide
SMILESCC[C@@H](C)[C@@H](C)C1OC(C)(C)CC(C)C1NC(C)=O
InChIInChI=1S/C16H31NO2/c1-8-10(2)12(4)15-14(17-13(5)18)11(3)9-16(6,7)19-15/h10-12,14-15H,8-9H2,1-7H3,(H,17,18)/t10-,11?,12-,14?,15?/m1/s1
InChIKeyDRMATMSHKQHKIF-MASVLEMTSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide?
The IUPAC name of N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide (CID 59967442) is N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide.
What is the SMILES notation for N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide?
The canonical SMILES for N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide is CC[C@@H](C)[C@@H](C)C1OC(C)(C)CC(C)C1NC(C)=O.
What is the InChIKey of N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide?
The InChIKey is DRMATMSHKQHKIF-MASVLEMTSA-N. The full InChI is InChI=1S/C16H31NO2/c1-8-10(2)12(4)15-14(17-13(5)18)11(3)9-16(6,7)19-15/h10-12,14-15H,8-9H2,1-7H3,(H,17,18)/t10-,11?,12-,14?,15?/m1/s1.
What are the key properties of N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide?
N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide has a molecular weight of 269.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide is sourced from PubChem (CID 59967442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).