N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

C19H31N3O2 — CID 133109768

IUPACN,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCCCc1ccc(CN2C[C@@H]3CC[C@H]2CN(CC(=O)N(C)C)C3)o1
InChIInChI=1S/C19H31N3O2/c1-4-5-17-8-9-18(24-17)13-22-11-15-6-7-16(22)12-21(10-15)14-19(23)20(2)3/h8-9,15-16H,4-7,10-14H2,1-3H3/t15-,16+/m1/s1
InChIKeyIDWFZAMTUBAYRV-CVEARBPZSA-N
MW333.48 g/mol
LogP2.22
Rot. Bonds6

About N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (PubChem CID 133109768) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
PubChem CID133109768
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCCCc1ccc(CN2C[C@@H]3CC[C@H]2CN(CC(=O)N(C)C)C3)o1
InChIInChI=1S/C19H31N3O2/c1-4-5-17-8-9-18(24-17)13-22-11-15-6-7-16(22)12-21(10-15)14-19(23)20(2)3/h8-9,15-16H,4-7,10-14H2,1-3H3/t15-,16+/m1/s1
InChIKeyIDWFZAMTUBAYRV-CVEARBPZSA-N
XLogP2.22
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (CID 133109768) is N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is CCCc1ccc(CN2C[C@@H]3CC[C@H]2CN(CC(=O)N(C)C)C3)o1.
What is the InChIKey of N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The InChIKey is IDWFZAMTUBAYRV-CVEARBPZSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-5-17-8-9-18(24-17)13-22-11-15-6-7-16(22)12-21(10-15)14-19(23)20(2)3/h8-9,15-16H,4-7,10-14H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is sourced from PubChem (CID 133109768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).