propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate

C22H26N2O3 — CID 59073527

IUPACpropyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate
SMILESCCCOC(=O)C1C2CCC(CC2)N1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H26N2O3/c1-2-13-27-21(25)20-16-8-11-19(12-9-16)24(20)22(26)23-18-10-7-15-5-3-4-6-17(15)14-18/h3-7,10,14,16,19-20H,2,8-9,11-13H2,1H3,(H,23,26)
InChIKeyVAMPLHMDPXDPDJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.57
Rot. Bonds4

About propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate

propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate (PubChem CID 59073527) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate
PubChem CID59073527
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namepropyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate
SMILESCCCOC(=O)C1C2CCC(CC2)N1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H26N2O3/c1-2-13-27-21(25)20-16-8-11-19(12-9-16)24(20)22(26)23-18-10-7-15-5-3-4-6-17(15)14-18/h3-7,10,14,16,19-20H,2,8-9,11-13H2,1H3,(H,23,26)
InChIKeyVAMPLHMDPXDPDJ-UHFFFAOYSA-N
XLogP4.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate with MolForge

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Related Compounds

propyl 2-carbonochloridoyl-2-azabicyclo[2.2.2]octane-3-carboxylate
CID 59073524
4-butyl-N-naphthalen-2-ylazepane-1-carboxamide
CID 23381450
ethyl 3-[1-(naphthalen-2-ylcarbamoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3853921
2-O-benzyl 3-O-ethyl 2-azabicyclo[2.2.2]octane-2,3-dicarboxylate
CID 58724388
propyl (2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 7249232
propyl (2S,4S)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 7249234
propyl (2R,4R)-2-cyclohexyl-3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 7249231
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974
ethyl 7-naphthalen-2-ylsulfonyl-7-azabicyclo[4.2.1]nonane-8-carboxylate
CID 67155156
2-cyclopropyl-1-naphthalen-2-ylguanidine
CID 55068735
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 23307090

Frequently Asked Questions

What is the IUPAC name of propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate?
The IUPAC name of propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate (CID 59073527) is propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate.
What is the SMILES notation for propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate?
The canonical SMILES for propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate is CCCOC(=O)C1C2CCC(CC2)N1C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate?
The InChIKey is VAMPLHMDPXDPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-13-27-21(25)20-16-8-11-19(12-9-16)24(20)22(26)23-18-10-7-15-5-3-4-6-17(15)14-18/h3-7,10,14,16,19-20H,2,8-9,11-13H2,1H3,(H,23,26).
What are the key properties of propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate?
propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(naphthalen-2-ylcarbamoyl)-2-azabicyclo[2.2.2]octane-3-carboxylate is sourced from PubChem (CID 59073527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).