N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

C15H25NO2 — CID 110153150

IUPACN-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2
InChIInChI=1S/C15H25NO2/c1-9-12-7-11-8-15(12,5-6-18-9)13(14(11,3)4)16-10(2)17/h9,11-13H,5-8H2,1-4H3,(H,16,17)/t9-,11-,12-,13+,15?/m1/s1
InChIKeyFKBPZCKUTNIWFC-AXGPBQIXSA-N
MW251.37 g/mol
LogP2.35
Rot. Bonds1

About N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (PubChem CID 110153150) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.

Molecular Properties

Compound NameN-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
PubChem CID110153150
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2
InChIInChI=1S/C15H25NO2/c1-9-12-7-11-8-15(12,5-6-18-9)13(14(11,3)4)16-10(2)17/h9,11-13H,5-8H2,1-4H3,(H,16,17)/t9-,11-,12-,13+,15?/m1/s1
InChIKeyFKBPZCKUTNIWFC-AXGPBQIXSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The IUPAC name of N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (CID 110153150) is N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.
What is the SMILES notation for N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The canonical SMILES for N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide is CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2.
What is the InChIKey of N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The InChIKey is FKBPZCKUTNIWFC-AXGPBQIXSA-N. The full InChI is InChI=1S/C15H25NO2/c1-9-12-7-11-8-15(12,5-6-18-9)13(14(11,3)4)16-10(2)17/h9,11-13H,5-8H2,1-4H3,(H,16,17)/t9-,11-,12-,13+,15?/m1/s1.
What are the key properties of N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide has a molecular weight of 251.37 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide is sourced from PubChem (CID 110153150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).