N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide

C21H29N3O2 — CID 18540917

IUPACN-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C1C2CCC1CN(CCOc1ccc(C#N)cc1)C2
InChIInChI=1S/C21H29N3O2/c1-15(2)21(25)23(3)20-17-6-7-18(20)14-24(13-17)10-11-26-19-8-4-16(12-22)5-9-19/h4-5,8-9,15,17-18,20H,6-7,10-11,13-14H2,1-3H3
InChIKeyVMDJWRGZWBESGG-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.76
Rot. Bonds6

About N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide

N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide (PubChem CID 18540917) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide
PubChem CID18540917
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C1C2CCC1CN(CCOc1ccc(C#N)cc1)C2
InChIInChI=1S/C21H29N3O2/c1-15(2)21(25)23(3)20-17-6-7-18(20)14-24(13-17)10-11-26-19-8-4-16(12-22)5-9-19/h4-5,8-9,15,17-18,20H,6-7,10-11,13-14H2,1-3H3
InChIKeyVMDJWRGZWBESGG-UHFFFAOYSA-N
XLogP2.76
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide with MolForge

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Related Compounds

2-cyanopropan-2-yl N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N-methylcarbamate
CID 18541029
N-[3-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methoxy-N-methylacetamide
CID 18540927
1-[2-(4-cyanophenoxy)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720877
1-[3-[(2S)-2-amino-3-(4-cyanophenoxy)propyl]-3-azabicyclo[3.2.1]octan-8-yl]-3-(4-methoxyphenyl)-1-methylurea
CID 70037358
4-[3-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propoxy]benzonitrile
CID 71491125
[(2S)-1-[8-[butylcarbamoyl(methyl)amino]-3-azabicyclo[3.2.1]octan-3-yl]-3-(4-cyanophenoxy)propan-2-yl] carbamate
CID 172854361
methyl (3S)-1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxylate
CID 79037643
tert-butyl-[3-[7-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]propyl]carbamic acid
CID 67096432
1-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]-1,3,3-trimethylurea
CID 10136042
4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide
CID 77252633
(3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 95604416
1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide
CID 43213972

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide (CID 18540917) is N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)C1C2CCC1CN(CCOc1ccc(C#N)cc1)C2.
What is the InChIKey of N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide?
The InChIKey is VMDJWRGZWBESGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15(2)21(25)23(3)20-17-6-7-18(20)14-24(13-17)10-11-26-19-8-4-16(12-22)5-9-19/h4-5,8-9,15,17-18,20H,6-7,10-11,13-14H2,1-3H3.
What are the key properties of N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide?
N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide has a molecular weight of 355.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 18540917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).