(2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide

C15H27NO — CID 58916567

IUPAC(2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide
SMILESCC(C)[C@@H](C)C(=O)NC12CCC(C)(CC1)CC2
InChIInChI=1S/C15H27NO/c1-11(2)12(3)13(17)16-15-8-5-14(4,6-9-15)7-10-15/h11-12H,5-10H2,1-4H3,(H,16,17)/t12-,14?,15?/m1/s1
InChIKeyQTBMGEZJBUDPQZ-LRVUVFPRSA-N
MW237.39 g/mol
LogP3.51
Rot. Bonds3

About (2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide

(2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide (PubChem CID 58916567) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide.

Molecular Properties

Compound Name(2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide
PubChem CID58916567
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide
SMILESCC(C)[C@@H](C)C(=O)NC12CCC(C)(CC1)CC2
InChIInChI=1S/C15H27NO/c1-11(2)12(3)13(17)16-15-8-5-14(4,6-9-15)7-10-15/h11-12H,5-10H2,1-4H3,(H,16,17)/t12-,14?,15?/m1/s1
InChIKeyQTBMGEZJBUDPQZ-LRVUVFPRSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide?
The IUPAC name of (2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide (CID 58916567) is (2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide.
What is the SMILES notation for (2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide?
The canonical SMILES for (2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide is CC(C)[C@@H](C)C(=O)NC12CCC(C)(CC1)CC2.
What is the InChIKey of (2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide?
The InChIKey is QTBMGEZJBUDPQZ-LRVUVFPRSA-N. The full InChI is InChI=1S/C15H27NO/c1-11(2)12(3)13(17)16-15-8-5-14(4,6-9-15)7-10-15/h11-12H,5-10H2,1-4H3,(H,16,17)/t12-,14?,15?/m1/s1.
What are the key properties of (2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide?
(2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide has a molecular weight of 237.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dimethyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)butanamide is sourced from PubChem (CID 58916567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).