N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide

C22H32N2O3 — CID 166380727

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(C[C@@H]2COCCN2)cc1)C1CC2CCC1C2
InChIInChI=1S/C22H32N2O3/c1-15(21-12-17-2-5-18(21)10-17)24-22(25)14-27-20-6-3-16(4-7-20)11-19-13-26-9-8-23-19/h3-4,6-7,15,17-19,21,23H,2,5,8-14H2,1H3,(H,24,25)/t15?,17?,18?,19-,21?/m1/s1
InChIKeyRXQHEUKVRBCORN-ZBLKZYTESA-N
MW372.51 g/mol
LogP2.54
Rot. Bonds7

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide (PubChem CID 166380727) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide
PubChem CID166380727
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(C[C@@H]2COCCN2)cc1)C1CC2CCC1C2
InChIInChI=1S/C22H32N2O3/c1-15(21-12-17-2-5-18(21)10-17)24-22(25)14-27-20-6-3-16(4-7-20)11-19-13-26-9-8-23-19/h3-4,6-7,15,17-19,21,23H,2,5,8-14H2,1H3,(H,24,25)/t15?,17?,18?,19-,21?/m1/s1
InChIKeyRXQHEUKVRBCORN-ZBLKZYTESA-N
XLogP2.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 98305688
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-chlorophenoxy)acetamide
CID 98408218
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376608
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376605
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 98751984
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chlorophenoxy)acetamide
CID 129376161
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenoxy)propanamide
CID 108802886
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 98421287
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19580094
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 51163159

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide (CID 166380727) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide is CC(NC(=O)COc1ccc(C[C@@H]2COCCN2)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide?
The InChIKey is RXQHEUKVRBCORN-ZBLKZYTESA-N. The full InChI is InChI=1S/C22H32N2O3/c1-15(21-12-17-2-5-18(21)10-17)24-22(25)14-27-20-6-3-16(4-7-20)11-19-13-26-9-8-23-19/h3-4,6-7,15,17-19,21,23H,2,5,8-14H2,1H3,(H,24,25)/t15?,17?,18?,19-,21?/m1/s1.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide has a molecular weight of 372.51 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[[(3R)-morpholin-3-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 166380727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).