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

C17H29NO3 — CID 110134137

IUPAC3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
SMILESCOCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2
InChIInChI=1S/C17H29NO3/c1-11-13-9-12-10-17(13,6-8-21-11)15(16(12,2)3)18-14(19)5-7-20-4/h11-13,15H,5-10H2,1-4H3,(H,18,19)/t11-,12-,13-,15+,17?/m1/s1
InChIKeyJNVDYWVWINLJKD-ACTGZQEFSA-N
MW295.42 g/mol
LogP2.37
Rot. Bonds4

About 3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide

3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide (PubChem CID 110134137) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
PubChem CID110134137
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
SMILESCOCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2
InChIInChI=1S/C17H29NO3/c1-11-13-9-12-10-17(13,6-8-21-11)15(16(12,2)3)18-14(19)5-7-20-4/h11-13,15H,5-10H2,1-4H3,(H,18,19)/t11-,12-,13-,15+,17?/m1/s1
InChIKeyJNVDYWVWINLJKD-ACTGZQEFSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The IUPAC name of 3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide (CID 110134137) is 3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide is COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2.
What is the InChIKey of 3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
The InChIKey is JNVDYWVWINLJKD-ACTGZQEFSA-N. The full InChI is InChI=1S/C17H29NO3/c1-11-13-9-12-10-17(13,6-8-21-11)15(16(12,2)3)18-14(19)5-7-20-4/h11-13,15H,5-10H2,1-4H3,(H,18,19)/t11-,12-,13-,15+,17?/m1/s1.
What are the key properties of 3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide?
3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide has a molecular weight of 295.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide is sourced from PubChem (CID 110134137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).