N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide

C18H25NO — CID 4661679

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)C2CC3CCC2C3)c(C)c1
InChIInChI=1S/C18H25NO/c1-11-4-7-16(12(2)8-11)18(20)19-13(3)17-10-14-5-6-15(17)9-14/h4,7-8,13-15,17H,5-6,9-10H2,1-3H3,(H,19,20)
InChIKeyIKUBFGZYUXDDRM-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.86
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide (PubChem CID 4661679) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide
PubChem CID4661679
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)C2CC3CCC2C3)c(C)c1
InChIInChI=1S/C18H25NO/c1-11-4-7-16(12(2)8-11)18(20)19-13(3)17-10-14-5-6-15(17)9-14/h4,7-8,13-15,17H,5-6,9-10H2,1-3H3,(H,19,20)
InChIKeyIKUBFGZYUXDDRM-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide (CID 4661679) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC(C)C2CC3CCC2C3)c(C)c1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide?
The InChIKey is IKUBFGZYUXDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11-4-7-16(12(2)8-11)18(20)19-13(3)17-10-14-5-6-15(17)9-14/h4,7-8,13-15,17H,5-6,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide has a molecular weight of 271.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 4661679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).