N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide

C20H27N3O2 — CID 646851

IUPACN-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide
SMILESO=C(CN1C2CCC1CC(NC(=O)C1CC1)C2)NCc1ccccc1
InChIInChI=1S/C20H27N3O2/c24-19(21-12-14-4-2-1-3-5-14)13-23-17-8-9-18(23)11-16(10-17)22-20(25)15-6-7-15/h1-5,15-18H,6-13H2,(H,21,24)(H,22,25)
InChIKeyXJFUZVNFHWWKIL-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.82
Rot. Bonds6

About N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide

N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide (PubChem CID 646851) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide
PubChem CID646851
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide
SMILESO=C(CN1C2CCC1CC(NC(=O)C1CC1)C2)NCc1ccccc1
InChIInChI=1S/C20H27N3O2/c24-19(21-12-14-4-2-1-3-5-14)13-23-17-8-9-18(23)11-16(10-17)22-20(25)15-6-7-15/h1-5,15-18H,6-13H2,(H,21,24)(H,22,25)
InChIKeyXJFUZVNFHWWKIL-UHFFFAOYSA-N
XLogP1.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide (CID 646851) is N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide is O=C(CN1C2CCC1CC(NC(=O)C1CC1)C2)NCc1ccccc1.
What is the InChIKey of N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide?
The InChIKey is XJFUZVNFHWWKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(21-12-14-4-2-1-3-5-14)13-23-17-8-9-18(23)11-16(10-17)22-20(25)15-6-7-15/h1-5,15-18H,6-13H2,(H,21,24)(H,22,25).
What are the key properties of N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide?
N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide has a molecular weight of 341.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[2-(benzylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 646851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).