3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide

C19H32N2O2 — CID 144522898

IUPAC3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CC2CC(CC(C)(C(N)=O)C2)C1NC(=O)C1(C)CCCC1
InChIInChI=1S/C19H32N2O2/c1-12-8-13-9-14(11-19(3,10-13)16(20)22)15(12)21-17(23)18(2)6-4-5-7-18/h12-15H,4-11H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyGDWMMMWVMAUWEU-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.00
Rot. Bonds3

About 3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide

3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 144522898) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID144522898
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CC2CC(CC(C)(C(N)=O)C2)C1NC(=O)C1(C)CCCC1
InChIInChI=1S/C19H32N2O2/c1-12-8-13-9-14(11-19(3,10-13)16(20)22)15(12)21-17(23)18(2)6-4-5-7-18/h12-15H,4-11H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyGDWMMMWVMAUWEU-UHFFFAOYSA-N
XLogP3.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide (CID 144522898) is 3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide is CC1CC2CC(CC(C)(C(N)=O)C2)C1NC(=O)C1(C)CCCC1.
What is the InChIKey of 3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is GDWMMMWVMAUWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-12-8-13-9-14(11-19(3,10-13)16(20)22)15(12)21-17(23)18(2)6-4-5-7-18/h12-15H,4-11H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide?
3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 144522898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).