N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide

C14H26N2O — CID 3064442

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NC1CC2CCC1C2
InChIInChI=1S/C14H26N2O/c1-3-16(4-2)8-7-14(17)15-13-10-11-5-6-12(13)9-11/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyUROIUVOPWCZZJJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide

N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide (PubChem CID 3064442) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide
PubChem CID3064442
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NC1CC2CCC1C2
InChIInChI=1S/C14H26N2O/c1-3-16(4-2)8-7-14(17)15-13-10-11-5-6-12(13)9-11/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyUROIUVOPWCZZJJ-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide (CID 3064442) is N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide is CCN(CC)CCC(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide?
The InChIKey is UROIUVOPWCZZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-16(4-2)8-7-14(17)15-13-10-11-5-6-12(13)9-11/h11-13H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide?
N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide has a molecular weight of 238.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide is sourced from PubChem (CID 3064442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).