N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide

C20H28N2O2 — CID 71881693

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide
SMILESO=C(NCCC1CC2CCC1C2)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H28N2O2/c23-20(21-8-7-17-14-15-5-6-16(17)13-15)18-3-1-2-4-19(18)22-9-11-24-12-10-22/h1-4,15-17H,5-14H2,(H,21,23)
InChIKeyBBCPUNNEJKMDID-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.08
Rot. Bonds5

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide (PubChem CID 71881693) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide
PubChem CID71881693
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide
SMILESO=C(NCCC1CC2CCC1C2)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H28N2O2/c23-20(21-8-7-17-14-15-5-6-16(17)13-15)18-3-1-2-4-19(18)22-9-11-24-12-10-22/h1-4,15-17H,5-14H2,(H,21,23)
InChIKeyBBCPUNNEJKMDID-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 98786152
N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 98365172
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
2-morpholin-4-yl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]benzamide
CID 97081663
2-morpholin-4-ylbenzohydrazide
CID 7148386
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
CID 77086310
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide
CID 112835510
N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
CID 91766122
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137199377
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide (CID 71881693) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide is O=C(NCCC1CC2CCC1C2)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide?
The InChIKey is BBCPUNNEJKMDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(21-8-7-17-14-15-5-6-16(17)13-15)18-3-1-2-4-19(18)22-9-11-24-12-10-22/h1-4,15-17H,5-14H2,(H,21,23).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide has a molecular weight of 328.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 71881693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).