N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

C19H27N3O3 — CID 72854538

IUPACN-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(CC(=O)NCc1ccco1)C2
InChIInChI=1S/C19H27N3O3/c1-14(2)7-8-22-16-6-5-15(19(22)24)11-21(12-16)13-18(23)20-10-17-4-3-9-25-17/h3-4,7,9,15-16H,5-6,8,10-13H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyWUXVIEPXBDUPPV-JKSUJKDBSA-N
MW345.44 g/mol
LogP1.78
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (PubChem CID 72854538) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
PubChem CID72854538
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(CC(=O)NCc1ccco1)C2
InChIInChI=1S/C19H27N3O3/c1-14(2)7-8-22-16-6-5-15(19(22)24)11-21(12-16)13-18(23)20-10-17-4-3-9-25-17/h3-4,7,9,15-16H,5-6,8,10-13H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyWUXVIEPXBDUPPV-JKSUJKDBSA-N
XLogP1.78
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
(1S,5R)-3-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72894763
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea
CID 71909131
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (CID 72854538) is N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(CC(=O)NCc1ccco1)C2.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The InChIKey is WUXVIEPXBDUPPV-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)7-8-22-16-6-5-15(19(22)24)11-21(12-16)13-18(23)20-10-17-4-3-9-25-17/h3-4,7,9,15-16H,5-6,8,10-13H2,1-2H3,(H,20,23)/t15-,16+/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is sourced from PubChem (CID 72854538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).