N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide

C18H26N2O — CID 4240685

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide
SMILESCC(NC(=O)c1ccc(N(C)C)cc1)C1CC2CCC1C2
InChIInChI=1S/C18H26N2O/c1-12(17-11-13-4-5-15(17)10-13)19-18(21)14-6-8-16(9-7-14)20(2)3/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyJPQOCKAUYPNSRU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.31
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide (PubChem CID 4240685) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide
PubChem CID4240685
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide
SMILESCC(NC(=O)c1ccc(N(C)C)cc1)C1CC2CCC1C2
InChIInChI=1S/C18H26N2O/c1-12(17-11-13-4-5-15(17)10-13)19-18(21)14-6-8-16(9-7-14)20(2)3/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyJPQOCKAUYPNSRU-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide (CID 4240685) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide is CC(NC(=O)c1ccc(N(C)C)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide?
The InChIKey is JPQOCKAUYPNSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(17-11-13-4-5-15(17)10-13)19-18(21)14-6-8-16(9-7-14)20(2)3/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide has a molecular weight of 286.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 4240685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).