N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide

C27H40N2O — CID 123922608

IUPACN-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC2CCCC(C1)N2CC1CC2CCCC(C2)C1
InChIInChI=1S/C27H40N2O/c1-2-27(30)29(23-10-4-3-5-11-23)26-17-24-12-7-13-25(18-26)28(24)19-22-15-20-8-6-9-21(14-20)16-22/h3-5,10-11,20-22,24-26H,2,6-9,12-19H2,1H3
InChIKeyQGSABNDTUFANOB-UHFFFAOYSA-N
MW408.63 g/mol
LogP6.03
Rot. Bonds5

About N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide

N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide (PubChem CID 123922608) has the molecular formula C27H40N2O and a molecular weight of 408.63 g/mol. Its IUPAC name is N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide
PubChem CID123922608
Molecular FormulaC27H40N2O
Molecular Weight408.63 g/mol
Exact Mass408.31
IUPAC NameN-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC2CCCC(C1)N2CC1CC2CCCC(C2)C1
InChIInChI=1S/C27H40N2O/c1-2-27(30)29(23-10-4-3-5-11-23)26-17-24-12-7-13-25(18-26)28(24)19-22-15-20-8-6-9-21(14-20)16-22/h3-5,10-11,20-22,24-26H,2,6-9,12-19H2,1H3
InChIKeyQGSABNDTUFANOB-UHFFFAOYSA-N
XLogP6.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide with MolForge

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Related Compounds

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide
CID 3081002
1-[(N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]anilino)-hydroxymethyl]pyrrolidine-2-carboxylic acid
CID 123689788
N-[8-(2-cyclohepta-1,3,6-trien-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide
CID 142147338
3-(N-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]anilino)-3-oxopropanoic acid
CID 90268724
1-[[2-(N-[9-(3-bicyclo[3.3.1]nonanyl)-9-azabicyclo[3.3.1]nonan-3-yl]anilino)-2-oxoethyl]amino]cyclopropane-1-carboxylic acid
CID 90268770
N-(2-methylpiperidin-4-yl)-N-phenylpropanamide
CID 155269375
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 90349890
N-[(1S,5R)-9-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-bromo-N-phenylacetamide;(1S,5R)-9-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine;2-bromoacetyl bromide
CID 161087797
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide
CID 117065158

Frequently Asked Questions

What is the IUPAC name of N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide?
The IUPAC name of N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide (CID 123922608) is N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide?
The canonical SMILES for N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CC2CCCC(C1)N2CC1CC2CCCC(C2)C1.
What is the InChIKey of N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide?
The InChIKey is QGSABNDTUFANOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O/c1-2-27(30)29(23-10-4-3-5-11-23)26-17-24-12-7-13-25(18-26)28(24)19-22-15-20-8-6-9-21(14-20)16-22/h3-5,10-11,20-22,24-26H,2,6-9,12-19H2,1H3.
What are the key properties of N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide?
N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide has a molecular weight of 408.63 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide is sourced from PubChem (CID 123922608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).