N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide

C14H25NO — CID 146393510

IUPACN-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
SMILESCCC(=O)NC12CCC(C(C)C)(CC1)CC2
InChIInChI=1S/C14H25NO/c1-4-12(16)15-14-8-5-13(6-9-14,7-10-14)11(2)3/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyITEBTFBOXVNSDN-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.26
Rot. Bonds3

About N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide

N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide (PubChem CID 146393510) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
PubChem CID146393510
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
SMILESCCC(=O)NC12CCC(C(C)C)(CC1)CC2
InChIInChI=1S/C14H25NO/c1-4-12(16)15-14-8-5-13(6-9-14,7-10-14)11(2)3/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyITEBTFBOXVNSDN-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-dimethyl-1-adamantyl)acetamide
CID 5276209
N-(adamantan-1-yl)-2,2-dimethylpropanamide
CID 4271592
N-(1-Methyl-1-(4-methylcyclohexyl)ethyl)acetamide
CID 379924
N-(3,5-dimethyladamant-1-yl)propanamide
CID 57628328
N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide
CID 12765163
N-(4-propylbicyclo[2.2.2]oct-1-yl)acetamide
CID 775434
N-(p-menth-8-yl)propionamide
CID 92000227
N-(3-ethyladamantan-1-yl)acetamide
CID 12910651
N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]acetamide
CID 128125996
3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
CID 146393507
molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
CID 153404877
N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide
CID 167333833

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
The IUPAC name of N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide (CID 146393510) is N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide.
What is the SMILES notation for N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
The canonical SMILES for N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide is CCC(=O)NC12CCC(C(C)C)(CC1)CC2.
What is the InChIKey of N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
The InChIKey is ITEBTFBOXVNSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-12(16)15-14-8-5-13(6-9-14,7-10-14)11(2)3/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide has a molecular weight of 223.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide is sourced from PubChem (CID 146393510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).