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

C16H27NO2 — CID 110134887

IUPACN-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
SMILESCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2
InChIInChI=1S/C16H27NO2/c1-5-13(18)17-14-15(3,4)11-8-12-10(2)19-7-6-16(12,14)9-11/h10-12,14H,5-9H2,1-4H3,(H,17,18)/t10-,11-,12-,14-,16?/m1/s1
InChIKeyDBBFEAOBACQGSI-FPVIDPCTSA-N
MW265.40 g/mol
LogP2.74
Rot. Bonds2

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

N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide (PubChem CID 110134887) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide.

Molecular Properties

Compound NameN-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
PubChem CID110134887
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
SMILESCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2
InChIInChI=1S/C16H27NO2/c1-5-13(18)17-14-15(3,4)11-8-12-10(2)19-7-6-16(12,14)9-11/h10-12,14H,5-9H2,1-4H3,(H,17,18)/t10-,11-,12-,14-,16?/m1/s1
InChIKeyDBBFEAOBACQGSI-FPVIDPCTSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.74
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,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The IUPAC name of N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide (CID 110134887) is N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide.
What is the SMILES notation for N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The canonical SMILES for N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide is CCC(=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,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The InChIKey is DBBFEAOBACQGSI-FPVIDPCTSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-13(18)17-14-15(3,4)11-8-12-10(2)19-7-6-16(12,14)9-11/h10-12,14H,5-9H2,1-4H3,(H,17,18)/t10-,11-,12-,14-,16?/m1/s1.
What are the key properties of N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide has a molecular weight of 265.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide is sourced from PubChem (CID 110134887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).