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

C17H29NO2 — CID 110134888

IUPACN-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide
SMILESCCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2
InChIInChI=1S/C17H29NO2/c1-5-6-14(19)18-15-16(3,4)12-9-13-11(2)20-8-7-17(13,15)10-12/h11-13,15H,5-10H2,1-4H3,(H,18,19)/t11-,12-,13-,15-,17?/m1/s1
InChIKeyKXIGWXCWLOLNCO-PWUXRVMCSA-N
MW279.42 g/mol
LogP3.13
Rot. Bonds3

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

N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide (PubChem CID 110134888) has the molecular formula C17H29NO2 and a molecular weight of 279.42 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]butanamide.

Molecular Properties

Compound NameN-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide
PubChem CID110134888
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide
SMILESCCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2
InChIInChI=1S/C17H29NO2/c1-5-6-14(19)18-15-16(3,4)12-9-13-11(2)20-8-7-17(13,15)10-12/h11-13,15H,5-10H2,1-4H3,(H,18,19)/t11-,12-,13-,15-,17?/m1/s1
InChIKeyKXIGWXCWLOLNCO-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)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide?
The IUPAC name of N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide (CID 110134888) is N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide.
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]butanamide?
The canonical SMILES for N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide is CCCC(=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]butanamide?
The InChIKey is KXIGWXCWLOLNCO-PWUXRVMCSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-6-14(19)18-15-16(3,4)12-9-13-11(2)20-8-7-17(13,15)10-12/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)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide?
N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide 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)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide is sourced from PubChem (CID 110134888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).