N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide

C19H33NO2 — CID 110134720

IUPACN-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)C)OCCC31C2
InChIInChI=1S/C19H33NO2/c1-11(2)15-14-9-13-10-19(14,7-8-22-15)17(18(13,5)6)20-16(21)12(3)4/h11-15,17H,7-10H2,1-6H3,(H,20,21)/t13-,14-,15-,17-,19?/m1/s1
InChIKeyKWKUVULHULPXIP-USNNFTJFSA-N
MW307.48 g/mol
LogP3.62
Rot. Bonds3

About N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide

N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide (PubChem CID 110134720) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
PubChem CID110134720
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC NameN-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)C)OCCC31C2
InChIInChI=1S/C19H33NO2/c1-11(2)15-14-9-13-10-19(14,7-8-22-15)17(18(13,5)6)20-16(21)12(3)4/h11-15,17H,7-10H2,1-6H3,(H,20,21)/t13-,14-,15-,17-,19?/m1/s1
InChIKeyKWKUVULHULPXIP-USNNFTJFSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.62
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)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
The IUPAC name of N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide (CID 110134720) is N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
The canonical SMILES for N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)C)OCCC31C2.
What is the InChIKey of N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
The InChIKey is KWKUVULHULPXIP-USNNFTJFSA-N. The full InChI is InChI=1S/C19H33NO2/c1-11(2)15-14-9-13-10-19(14,7-8-22-15)17(18(13,5)6)20-16(21)12(3)4/h11-15,17H,7-10H2,1-6H3,(H,20,21)/t13-,14-,15-,17-,19?/m1/s1.
What are the key properties of N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide has a molecular weight of 307.48 g/mol, XLogP of 3.62, 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)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide is sourced from PubChem (CID 110134720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).