N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

C21H26N4O3 — CID 646946

IUPACN-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESO=C(CN1C2CCC1CC(NC(=O)Nc1ccccc1)C2)NCc1ccco1
InChIInChI=1S/C21H26N4O3/c26-20(22-13-19-7-4-10-28-19)14-25-17-8-9-18(25)12-16(11-17)24-21(27)23-15-5-2-1-3-6-15/h1-7,10,16-18H,8-9,11-14H2,(H,22,26)(H2,23,24,27)
InChIKeyZBEBKRXCLBJXTN-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.71
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 646946) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID646946
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESO=C(CN1C2CCC1CC(NC(=O)Nc1ccccc1)C2)NCc1ccco1
InChIInChI=1S/C21H26N4O3/c26-20(22-13-19-7-4-10-28-19)14-25-17-8-9-18(25)12-16(11-17)24-21(27)23-15-5-2-1-3-6-15/h1-7,10,16-18H,8-9,11-14H2,(H,22,26)(H2,23,24,27)
InChIKeyZBEBKRXCLBJXTN-UHFFFAOYSA-N
XLogP2.71
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 646946) is N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is O=C(CN1C2CCC1CC(NC(=O)Nc1ccccc1)C2)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is ZBEBKRXCLBJXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(22-13-19-7-4-10-28-19)14-25-17-8-9-18(25)12-16(11-17)24-21(27)23-15-5-2-1-3-6-15/h1-7,10,16-18H,8-9,11-14H2,(H,22,26)(H2,23,24,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(phenylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 646946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).