N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide

C18H26N2O — CID 62366416

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N(C)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C18H26N2O/c1-13-4-3-5-14(10-13)6-9-18(21)20(2)17-11-15-7-8-16(12-17)19-15/h3-5,10,15-17,19H,6-9,11-12H2,1-2H3
InChIKeyCKLMMELEVHWQPW-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.67
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide (PubChem CID 62366416) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide
PubChem CID62366416
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N(C)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C18H26N2O/c1-13-4-3-5-14(10-13)6-9-18(21)20(2)17-11-15-7-8-16(12-17)19-15/h3-5,10,15-17,19H,6-9,11-12H2,1-2H3
InChIKeyCKLMMELEVHWQPW-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide
CID 102638215
N-ethyl-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 62365720
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-3-(3-chlorophenyl)-N-methylpropanamide
CID 134704943
N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide
CID 62313193
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 79611025
N-methyl-3-phenyl-N-(3-phenylcyclobutyl)propanamide
CID 166696391
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide
CID 61233345
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 62366566
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpentanamide
CID 61232017
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide (CID 62366416) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)N(C)C2CC3CCC(C2)N3)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide?
The InChIKey is CKLMMELEVHWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-4-3-5-14(10-13)6-9-18(21)20(2)17-11-15-7-8-16(12-17)19-15/h3-5,10,15-17,19H,6-9,11-12H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide has a molecular weight of 286.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 62366416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).