2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide

C20H34N4O2 — CID 134804643

IUPAC2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NCCCN1CCCC1
InChIInChI=1S/C20H34N4O2/c25-19(21-7-4-10-22-8-1-2-9-22)15-23-12-16-11-17(14-23)18-5-3-6-20(26)24(18)13-16/h16-18H,1-15H2,(H,21,25)/t16?,17?,18-/m1/s1
InChIKeyLPAJLGDRVGNEOK-DAWZGUTISA-N
MW362.52 g/mol
LogP0.92
Rot. Bonds6

About 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 134804643) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID134804643
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NCCCN1CCCC1
InChIInChI=1S/C20H34N4O2/c25-19(21-7-4-10-22-8-1-2-9-22)15-23-12-16-11-17(14-23)18-5-3-6-20(26)24(18)13-16/h16-18H,1-15H2,(H,21,25)/t16?,17?,18-/m1/s1
InChIKeyLPAJLGDRVGNEOK-DAWZGUTISA-N
XLogP0.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 134804643) is 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide is O=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NCCCN1CCCC1.
What is the InChIKey of 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is LPAJLGDRVGNEOK-DAWZGUTISA-N. The full InChI is InChI=1S/C20H34N4O2/c25-19(21-7-4-10-22-8-1-2-9-22)15-23-12-16-11-17(14-23)18-5-3-6-20(26)24(18)13-16/h16-18H,1-15H2,(H,21,25)/t16?,17?,18-/m1/s1.
What are the key properties of 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 362.52 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 134804643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).