3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide

C17H23N3O3 — CID 119459544

IUPAC3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide
SMILESNC(=O)c1cccc(OCCC(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C17H23N3O3/c18-17(22)11-2-1-3-15(8-11)23-7-6-16(21)20-14-9-12-4-5-13(10-14)19-12/h1-3,8,12-14,19H,4-7,9-10H2,(H2,18,22)(H,20,21)
InChIKeyGWWOKFNOANUEPC-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.95
Rot. Bonds6

About 3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide

3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide (PubChem CID 119459544) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide
PubChem CID119459544
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide
SMILESNC(=O)c1cccc(OCCC(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C17H23N3O3/c18-17(22)11-2-1-3-15(8-11)23-7-6-16(21)20-14-9-12-4-5-13(10-14)19-12/h1-3,8,12-14,19H,4-7,9-10H2,(H2,18,22)(H,20,21)
InChIKeyGWWOKFNOANUEPC-UHFFFAOYSA-N
XLogP0.95
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
CID 119454270
3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride
CID 119390379
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120557025
3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide
CID 95974632
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575
3-[3-oxo-3-[[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]propoxy]benzamide
CID 166355742
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-tert-butylphenoxy)butanamide
CID 119455929
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119455783
3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119504319
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxypropanamide
CID 62589135

Frequently Asked Questions

What is the IUPAC name of 3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide?
The IUPAC name of 3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide (CID 119459544) is 3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide.
What is the SMILES notation for 3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide?
The canonical SMILES for 3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide is NC(=O)c1cccc(OCCC(=O)NC2CC3CCC(C2)N3)c1.
What is the InChIKey of 3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide?
The InChIKey is GWWOKFNOANUEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c18-17(22)11-2-1-3-15(8-11)23-7-6-16(21)20-14-9-12-4-5-13(10-14)19-12/h1-3,8,12-14,19H,4-7,9-10H2,(H2,18,22)(H,20,21).
What are the key properties of 3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide?
3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide has a molecular weight of 317.39 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxopropoxy]benzamide is sourced from PubChem (CID 119459544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).