N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

C19H25N3O2 — CID 119457848

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESO=C1Cc2cc(CCCC(=O)NC3CC4CCC(C3)N4)ccc2N1
InChIInChI=1S/C19H25N3O2/c23-18(21-16-10-14-5-6-15(11-16)20-14)3-1-2-12-4-7-17-13(8-12)9-19(24)22-17/h4,7-8,14-16,20H,1-3,5-6,9-11H2,(H,21,23)(H,22,24)
InChIKeyZGQQJBQEWZDPPH-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.90
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (PubChem CID 119457848) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
PubChem CID119457848
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESO=C1Cc2cc(CCCC(=O)NC3CC4CCC(C3)N4)ccc2N1
InChIInChI=1S/C19H25N3O2/c23-18(21-16-10-14-5-6-15(11-16)20-14)3-1-2-12-4-7-17-13(8-12)9-19(24)22-17/h4,7-8,14-16,20H,1-3,5-6,9-11H2,(H,21,23)(H,22,24)
InChIKeyZGQQJBQEWZDPPH-UHFFFAOYSA-N
XLogP1.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (CID 119457848) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is O=C1Cc2cc(CCCC(=O)NC3CC4CCC(C3)N4)ccc2N1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The InChIKey is ZGQQJBQEWZDPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(21-16-10-14-5-6-15(11-16)20-14)3-1-2-12-4-7-17-13(8-12)9-19(24)22-17/h4,7-8,14-16,20H,1-3,5-6,9-11H2,(H,21,23)(H,22,24).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide has a molecular weight of 327.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is sourced from PubChem (CID 119457848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).