N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide

C20H30N2O3 — CID 119458823

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1OCCC
InChIInChI=1S/C20H30N2O3/c1-3-9-24-18-8-5-14(11-19(18)25-10-4-2)20(23)22-17-12-15-6-7-16(13-17)21-15/h5,8,11,15-17,21H,3-4,6-7,9-10,12-13H2,1-2H3,(H,22,23)
InChIKeyPBUUWWLXVCNHKK-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.28
Rot. Bonds8

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide (PubChem CID 119458823) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
PubChem CID119458823
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1OCCC
InChIInChI=1S/C20H30N2O3/c1-3-9-24-18-8-5-14(11-19(18)25-10-4-2)20(23)22-17-12-15-6-7-16(13-17)21-15/h5,8,11,15-17,21H,3-4,6-7,9-10,12-13H2,1-2H3,(H,22,23)
InChIKeyPBUUWWLXVCNHKK-UHFFFAOYSA-N
XLogP3.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
CID 119388905
3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 34282702
3-bromo-N-cyclohexyl-4-propoxybenzamide
CID 17342733
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 120601980
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
CID 62876064
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide
CID 119459719

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide (CID 119458823) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide is CCCOc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1OCCC.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide?
The InChIKey is PBUUWWLXVCNHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-9-24-18-8-5-14(11-19(18)25-10-4-2)20(23)22-17-12-15-6-7-16(13-17)21-15/h5,8,11,15-17,21H,3-4,6-7,9-10,12-13H2,1-2H3,(H,22,23).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide has a molecular weight of 346.47 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide is sourced from PubChem (CID 119458823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).