N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide

C19H25ClN2O2 — CID 119459119

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C19H25ClN2O2/c20-14-3-1-2-13(10-14)19(6-8-24-9-7-19)18(23)22-17-11-15-4-5-16(12-17)21-15/h1-3,10,15-17,21H,4-9,11-12H2,(H,22,23)
InChIKeyDEBGUYXXKJHHGI-UHFFFAOYSA-N
MW348.87 g/mol
LogP2.79
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide (PubChem CID 119459119) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
PubChem CID119459119
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C19H25ClN2O2/c20-14-3-1-2-13(10-14)19(6-8-24-9-7-19)18(23)22-17-11-15-4-5-16(12-17)21-15/h1-3,10,15-17,21H,4-9,11-12H2,(H,22,23)
InChIKeyDEBGUYXXKJHHGI-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromophenyl)cyclohexane-1-carboxamide
CID 119457804
4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120573485
[4-(3-chlorophenyl)oxan-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638947
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-chlorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119455788
4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide
CID 94829023
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474559
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563572
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913
1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120601700

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide (CID 119459119) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide is O=C(NC1CC2CCC(C1)N2)C1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide?
The InChIKey is DEBGUYXXKJHHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-14-3-1-2-13(10-14)19(6-8-24-9-7-19)18(23)22-17-11-15-4-5-16(12-17)21-15/h1-3,10,15-17,21H,4-9,11-12H2,(H,22,23).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide has a molecular weight of 348.87 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 119459119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).