N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

C18H31NO2 — CID 125004231

IUPACN-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-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](CC(C)C)OCC[C@@]31C2
InChIInChI=1S/C18H31NO2/c1-11(2)8-15-14-9-13-10-18(14,6-7-21-15)16(17(13,4)5)19-12(3)20/h11,13-16H,6-10H2,1-5H3,(H,19,20)/t13-,14-,15-,16-,18-/m1/s1
InChIKeySXCIBDHUIVQNJR-XSDHEKCYSA-N
MW293.45 g/mol
LogP3.38
Rot. Bonds3

About N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (PubChem CID 125004231) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
PubChem CID125004231
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-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](CC(C)C)OCC[C@@]31C2
InChIInChI=1S/C18H31NO2/c1-11(2)8-15-14-9-13-10-18(14,6-7-21-15)16(17(13,4)5)19-12(3)20/h11,13-16H,6-10H2,1-5H3,(H,19,20)/t13-,14-,15-,16-,18-/m1/s1
InChIKeySXCIBDHUIVQNJR-XSDHEKCYSA-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

Analyze N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide with MolForge

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Related Compounds

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
N-[(5R,6S,8R,10S)-5,9,9-trimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
CID 110153150
N-[(1S,5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide
CID 124948901
N-[(5R,6S,8R,10S)-9,9-dimethyl-5-(2-phenylethyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
CID 110153175
N-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
CID 132775638
4-acetamido-N-[2-[(5R,6S,8R,10S)-10-acetamido-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-5-yl]ethyl]benzamide
CID 110153259
N-[2-[(5R,6S,8R,10S)-10-acetamido-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-5-yl]ethyl]pyridine-2-carboxamide
CID 110143485
N-[(5S,6S,8R,10R)-5-(4-hydroxy-3,5-dimethylphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
CID 110135023
N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide
CID 110153174
N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
CID 110134345
N-[(1S,5R,6S,8R,10R)-5-benzyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
CID 124968614
N-[(5S,6S,8R,10S)-5-(3-methoxy-4-propan-2-yloxyphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
CID 110134405

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The IUPAC name of N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (CID 125004231) is N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.
What is the SMILES notation for N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The canonical SMILES for N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-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](CC(C)C)OCC[C@@]31C2.
What is the InChIKey of N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The InChIKey is SXCIBDHUIVQNJR-XSDHEKCYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-11(2)8-15-14-9-13-10-18(14,6-7-21-15)16(17(13,4)5)19-12(3)20/h11,13-16H,6-10H2,1-5H3,(H,19,20)/t13-,14-,15-,16-,18-/m1/s1.
What are the key properties of N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide 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 N-[(1S,5R,6S,8R,10R)-9,9-dimethyl-5-(2-methylpropyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide is sourced from PubChem (CID 125004231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).