2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide

C21H32N2O2 — CID 155870941

IUPAC2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1C2CCCC1CN(CC1CCCC1)C2)NCc1ccco1
InChIInChI=1S/C21H32N2O2/c24-21(22-12-19-9-4-10-25-19)11-20-17-7-3-8-18(20)15-23(14-17)13-16-5-1-2-6-16/h4,9-10,16-18,20H,1-3,5-8,11-15H2,(H,22,24)
InChIKeyLESQLLWIHVMSEY-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.82
Rot. Bonds6

About 2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide

2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 155870941) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID155870941
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1C2CCCC1CN(CC1CCCC1)C2)NCc1ccco1
InChIInChI=1S/C21H32N2O2/c24-21(22-12-19-9-4-10-25-19)11-20-17-7-3-8-18(20)15-23(14-17)13-16-5-1-2-6-16/h4,9-10,16-18,20H,1-3,5-8,11-15H2,(H,22,24)
InChIKeyLESQLLWIHVMSEY-UHFFFAOYSA-N
XLogP3.82
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-chlorobenzoyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide
CID 155874070
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-methylcarbonimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 109442875
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
(2R,3aS,7aR)-6-(cyclopropylmethyl)-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366977
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide
CID 51160476

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide (CID 155870941) is 2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CC1C2CCCC1CN(CC1CCCC1)C2)NCc1ccco1.
What is the InChIKey of 2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LESQLLWIHVMSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c24-21(22-12-19-9-4-10-25-19)11-20-17-7-3-8-18(20)15-23(14-17)13-16-5-1-2-6-16/h4,9-10,16-18,20H,1-3,5-8,11-15H2,(H,22,24).
What are the key properties of 2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 344.50 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 155870941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).