N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

C24H30N2O — CID 130269827

IUPACN-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCc1ccc(C23CC4CC(C2)C(C(=O)NC2CN5CCC6CC625)(C4)C3)cc1
InChIInChI=1S/C24H30N2O/c1-15-2-4-17(5-3-15)22-9-16-8-19(11-22)23(10-16,14-22)21(27)25-20-13-26-7-6-18-12-24(18,20)26/h2-5,16,18-20H,6-14H2,1H3,(H,25,27)
InChIKeySJSZNLFNAQLSGV-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.41
Rot. Bonds3

About N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 130269827) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID130269827
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC NameN-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCc1ccc(C23CC4CC(C2)C(C(=O)NC2CN5CCC6CC625)(C4)C3)cc1
InChIInChI=1S/C24H30N2O/c1-15-2-4-17(5-3-15)22-9-16-8-19(11-22)23(10-16,14-22)21(27)25-20-13-26-7-6-18-12-24(18,20)26/h2-5,16,18-20H,6-14H2,1H3,(H,25,27)
InChIKeySJSZNLFNAQLSGV-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 4803582
N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 130269796
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939
methyl (5R,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 98116671
N-(3,5-dichlorophenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 4020937
1-[(5R,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]piperidine-4-carboxylic acid
CID 98043389
N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide
CID 98145472
2-[3-(4-methylphenyl)-1-adamantyl]-1-pyrrolidin-1-ylethanone
CID 4627883
N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 2835994
(5S,7S)-N,N-dimethyl-3-(4-methylphenyl)adamantane-1-carboxamide
CID 98115320
(5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 7312500
(5R,7R)-3-(4-methylphenyl)-N-prop-2-enyladamantane-1-carboxamide
CID 98185677

Frequently Asked Questions

What is the IUPAC name of N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 130269827) is N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is Cc1ccc(C23CC4CC(C2)C(C(=O)NC2CN5CCC6CC625)(C4)C3)cc1.
What is the InChIKey of N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is SJSZNLFNAQLSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-15-2-4-17(5-3-15)22-9-16-8-19(11-22)23(10-16,14-22)21(27)25-20-13-26-7-6-18-12-24(18,20)26/h2-5,16,18-20H,6-14H2,1H3,(H,25,27).
What are the key properties of N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 130269827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).