N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide

C17H29NO — CID 2817639

IUPACN-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
SMILESCC1(C)C2CC[C@](C)(C2)C1NC(=O)C1CCCCC1
InChIInChI=1S/C17H29NO/c1-16(2)13-9-10-17(3,11-13)15(16)18-14(19)12-7-5-4-6-8-12/h12-13,15H,4-11H2,1-3H3,(H,18,19)/t13?,15?,17-/m1/s1
InChIKeyPUPLCQGDWYFLPV-PUJMQQBBSA-N
MW263.42 g/mol
LogP3.90
Rot. Bonds2

About N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide

N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide (PubChem CID 2817639) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
PubChem CID2817639
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
SMILESCC1(C)C2CC[C@](C)(C2)C1NC(=O)C1CCCCC1
InChIInChI=1S/C17H29NO/c1-16(2)13-9-10-17(3,11-13)15(16)18-14(19)12-7-5-4-6-8-12/h12-13,15H,4-11H2,1-3H3,(H,18,19)/t13?,15?,17-/m1/s1
InChIKeyPUPLCQGDWYFLPV-PUJMQQBBSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide (CID 2817639) is N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide is CC1(C)C2CC[C@](C)(C2)C1NC(=O)C1CCCCC1.
What is the InChIKey of N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
The InChIKey is PUPLCQGDWYFLPV-PUJMQQBBSA-N. The full InChI is InChI=1S/C17H29NO/c1-16(2)13-9-10-17(3,11-13)15(16)18-14(19)12-7-5-4-6-8-12/h12-13,15H,4-11H2,1-3H3,(H,18,19)/t13?,15?,17-/m1/s1.
What are the key properties of N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide has a molecular weight of 263.42 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide is sourced from PubChem (CID 2817639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).