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

C17H29NO2 — CID 132775638

IUPACN-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-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](CC)OCCC31C2
InChIInChI=1S/C17H29NO2/c1-5-13-12-9-11-10-17(12,7-8-20-13)15(16(11,3)4)18-14(19)6-2/h11-13,15H,5-10H2,1-4H3,(H,18,19)/t11-,12-,13-,15-,17?/m1/s1
InChIKeyOLBBWVUTDSPJSF-PWUXRVMCSA-N
MW279.42 g/mol
LogP3.13
Rot. Bonds3

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

N-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide (PubChem CID 132775638) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide.

Molecular Properties

Compound NameN-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
PubChem CID132775638
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-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](CC)OCCC31C2
InChIInChI=1S/C17H29NO2/c1-5-13-12-9-11-10-17(12,7-8-20-13)15(16(11,3)4)18-14(19)6-2/h11-13,15H,5-10H2,1-4H3,(H,18,19)/t11-,12-,13-,15-,17?/m1/s1
InChIKeyOLBBWVUTDSPJSF-PWUXRVMCSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.13
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-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The IUPAC name of N-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide (CID 132775638) is N-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide.
What is the SMILES notation for N-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The canonical SMILES for N-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-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](CC)OCCC31C2.
What is the InChIKey of N-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The InChIKey is OLBBWVUTDSPJSF-PWUXRVMCSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-13-12-9-11-10-17(12,7-8-20-13)15(16(11,3)4)18-14(19)6-2/h11-13,15H,5-10H2,1-4H3,(H,18,19)/t11-,12-,13-,15-,17?/m1/s1.
What are the key properties of N-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
N-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide has a molecular weight of 279.42 g/mol, XLogP of 3.13, 3 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-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide is sourced from PubChem (CID 132775638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).