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

C19H33NO2 — CID 110134138

IUPACN-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
SMILESCCC[C@H]1OCCC23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)C(C)C
InChIInChI=1S/C19H33NO2/c1-6-7-15-14-10-13-11-19(14,8-9-22-15)17(18(13,4)5)20-16(21)12(2)3/h12-15,17H,6-11H2,1-5H3,(H,20,21)/t13-,14-,15-,17+,19?/m1/s1
InChIKeyIRPLVZDRXKNVLM-YGEIPOLWSA-N
MW307.48 g/mol
LogP3.77
Rot. Bonds4

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

N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide (PubChem CID 110134138) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
PubChem CID110134138
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC NameN-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
SMILESCCC[C@H]1OCCC23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)C(C)C
InChIInChI=1S/C19H33NO2/c1-6-7-15-14-10-13-11-19(14,8-9-22-15)17(18(13,4)5)20-16(21)12(2)3/h12-15,17H,6-11H2,1-5H3,(H,20,21)/t13-,14-,15-,17+,19?/m1/s1
InChIKeyIRPLVZDRXKNVLM-YGEIPOLWSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.77
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,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
The IUPAC name of N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide (CID 110134138) is N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
The canonical SMILES for N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide is CCC[C@H]1OCCC23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)C(C)C.
What is the InChIKey of N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
The InChIKey is IRPLVZDRXKNVLM-YGEIPOLWSA-N. The full InChI is InChI=1S/C19H33NO2/c1-6-7-15-14-10-13-11-19(14,8-9-22-15)17(18(13,4)5)20-16(21)12(2)3/h12-15,17H,6-11H2,1-5H3,(H,20,21)/t13-,14-,15-,17+,19?/m1/s1.
What are the key properties of N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide?
N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide has a molecular weight of 307.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide is sourced from PubChem (CID 110134138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).