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

C17H29NO2 — CID 110134719

IUPACN-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)C)OCCC31C2
InChIInChI=1S/C17H29NO2/c1-10(2)14-13-8-12-9-17(13,6-7-20-14)15(16(12,4)5)18-11(3)19/h10,12-15H,6-9H2,1-5H3,(H,18,19)/t12-,13-,14-,15-,17?/m1/s1
InChIKeyRNGUMDQEIAGHQB-HXIAWOORSA-N
MW279.42 g/mol
LogP2.99
Rot. Bonds2

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

N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (PubChem CID 110134719) has the molecular formula C17H29NO2 and a molecular weight of 279.42 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]acetamide.

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]acetamide
PubChem CID110134719
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)C)OCCC31C2
InChIInChI=1S/C17H29NO2/c1-10(2)14-13-8-12-9-17(13,6-7-20-14)15(16(12,4)5)18-11(3)19/h10,12-15H,6-9H2,1-5H3,(H,18,19)/t12-,13-,14-,15-,17?/m1/s1
InChIKeyRNGUMDQEIAGHQB-HXIAWOORSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.99
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]acetamide?
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]acetamide (CID 110134719) is N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.
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]acetamide?
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]acetamide is CC(=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]acetamide?
The InChIKey is RNGUMDQEIAGHQB-HXIAWOORSA-N. The full InChI is InChI=1S/C17H29NO2/c1-10(2)14-13-8-12-9-17(13,6-7-20-14)15(16(12,4)5)18-11(3)19/h10,12-15H,6-9H2,1-5H3,(H,18,19)/t12-,13-,14-,15-,17?/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]acetamide?
N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide has a molecular weight of 279.42 g/mol, XLogP of 2.99, 2 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]acetamide is sourced from PubChem (CID 110134719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).