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

C24H42N2O2 — CID 139062130

IUPACN-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C.CC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/2C12H21NO/c2*1-8(14)13-10-7-9-5-6-12(10,4)11(9,2)3/h2*9-10H,5-7H2,1-4H3,(H,13,14)/t2*9-,10-,12+/m11/s1
InChIKeyXETODLOSGRCRLO-OHHVOCAESA-N
MW390.61 g/mol
LogP4.67
Rot. Bonds2

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

N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 139062130) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID139062130
Molecular FormulaC24H42N2O2
Molecular Weight390.61 g/mol
Exact Mass390.32
IUPAC NameN-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C.CC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/2C12H21NO/c2*1-8(14)13-10-7-9-5-6-12(10,4)11(9,2)3/h2*9-10H,5-7H2,1-4H3,(H,13,14)/t2*9-,10-,12+/m11/s1
InChIKeyXETODLOSGRCRLO-OHHVOCAESA-N
XLogP4.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 139062130) is N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is CC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C.CC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is XETODLOSGRCRLO-OHHVOCAESA-N. The full InChI is InChI=1S/2C12H21NO/c2*1-8(14)13-10-7-9-5-6-12(10,4)11(9,2)3/h2*9-10H,5-7H2,1-4H3,(H,13,14)/t2*9-,10-,12+/m11/s1.
What are the key properties of N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 390.61 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 139062130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).