N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

C14H24N2O2 — CID 11868321

IUPACN-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)N[C@@H]1[C@H]2CC[C@@](C)([C@@H]1NC(C)=O)C2(C)C
InChIInChI=1S/C14H24N2O2/c1-8(17)15-11-10-6-7-14(5,13(10,3)4)12(11)16-9(2)18/h10-12H,6-7H2,1-5H3,(H,15,17)(H,16,18)/t10-,11-,12-,14+/m1/s1
InChIKeyAMMHVWRMJVTZOQ-BYNQJWBRSA-N
MW252.36 g/mol
LogP1.45
Rot. Bonds2

About N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 11868321) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID11868321
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)N[C@@H]1[C@H]2CC[C@@](C)([C@@H]1NC(C)=O)C2(C)C
InChIInChI=1S/C14H24N2O2/c1-8(17)15-11-10-6-7-14(5,13(10,3)4)12(11)16-9(2)18/h10-12H,6-7H2,1-5H3,(H,15,17)(H,16,18)/t10-,11-,12-,14+/m1/s1
InChIKeyAMMHVWRMJVTZOQ-BYNQJWBRSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 11868321) is N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is CC(=O)N[C@@H]1[C@H]2CC[C@@](C)([C@@H]1NC(C)=O)C2(C)C.
What is the InChIKey of N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is AMMHVWRMJVTZOQ-BYNQJWBRSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-8(17)15-11-10-6-7-14(5,13(10,3)4)12(11)16-9(2)18/h10-12H,6-7H2,1-5H3,(H,15,17)(H,16,18)/t10-,11-,12-,14+/m1/s1.
What are the key properties of N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3S,4R)-3-acetamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 11868321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).