N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide

C23H38N2O2 — CID 3500052

IUPACN,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
SMILESCC(NC(=O)CCCC(=O)NC(C)C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C23H38N2O2/c1-14(20-12-16-6-8-18(20)10-16)24-22(26)4-3-5-23(27)25-15(2)21-13-17-7-9-19(21)11-17/h14-21H,3-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQTVBLEBUNGFJEJ-UHFFFAOYSA-N
MW374.57 g/mol
LogP4.04
Rot. Bonds8

About N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide

N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide (PubChem CID 3500052) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
PubChem CID3500052
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC NameN,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
SMILESCC(NC(=O)CCCC(=O)NC(C)C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C23H38N2O2/c1-14(20-12-16-6-8-18(20)10-16)24-22(26)4-3-5-23(27)25-15(2)21-13-17-7-9-19(21)11-17/h14-21H,3-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQTVBLEBUNGFJEJ-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(methylamino)butanamide
CID 60841318
sodium 6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-oxohexanoate
CID 154802194
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[3-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-oxopropyl]sulfanylpropanamide
CID 100726421
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-oxobutanoate
CID 108808723
4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride
CID 120558701
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-cyclohexylpropanamide
CID 98329878
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-cyanoacetamide
CID 98150839
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfonylacetamide
CID 98784730

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide?
The IUPAC name of N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide (CID 3500052) is N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide.
What is the SMILES notation for N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide?
The canonical SMILES for N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide is CC(NC(=O)CCCC(=O)NC(C)C1CC2CCC1C2)C1CC2CCC1C2.
What is the InChIKey of N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide?
The InChIKey is QTVBLEBUNGFJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-14(20-12-16-6-8-18(20)10-16)24-22(26)4-3-5-23(27)25-15(2)21-13-17-7-9-19(21)11-17/h14-21H,3-13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide?
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide has a molecular weight of 374.57 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide is sourced from PubChem (CID 3500052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).