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

C18H31NO2 — CID 110134889

IUPAC3-methyl-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide
SMILESCC(C)CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2
InChIInChI=1S/C18H31NO2/c1-11(2)8-15(20)19-16-17(4,5)13-9-14-12(3)21-7-6-18(14,16)10-13/h11-14,16H,6-10H2,1-5H3,(H,19,20)/t12-,13-,14-,16-,18?/m1/s1
InChIKeyAHBGOJPEHVOYHK-IRRIQHRTSA-N
MW293.45 g/mol
LogP3.38
Rot. Bonds3

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

3-methyl-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide (PubChem CID 110134889) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-methyl-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide
PubChem CID110134889
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name3-methyl-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide
SMILESCC(C)CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2
InChIInChI=1S/C18H31NO2/c1-11(2)8-15(20)19-16-17(4,5)13-9-14-12(3)21-7-6-18(14,16)10-13/h11-14,16H,6-10H2,1-5H3,(H,19,20)/t12-,13-,14-,16-,18?/m1/s1
InChIKeyAHBGOJPEHVOYHK-IRRIQHRTSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide?
The IUPAC name of 3-methyl-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide (CID 110134889) is 3-methyl-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 3-methyl-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide?
The canonical SMILES for 3-methyl-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide is CC(C)CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C)OCCC31C2.
What is the InChIKey of 3-methyl-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide?
The InChIKey is AHBGOJPEHVOYHK-IRRIQHRTSA-N. The full InChI is InChI=1S/C18H31NO2/c1-11(2)8-15(20)19-16-17(4,5)13-9-14-12(3)21-7-6-18(14,16)10-13/h11-14,16H,6-10H2,1-5H3,(H,19,20)/t12-,13-,14-,16-,18?/m1/s1.
What are the key properties of 3-methyl-N-[(5R,6S,8R,10R)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide?
3-methyl-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 293.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-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 110134889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).