3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide

C16H28N4O2 — CID 119820661

IUPAC3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)CC2CC3CCC(C2)N3)C1
InChIInChI=1S/C16H28N4O2/c1-2-17-16(22)20-6-5-14(10-20)19-15(21)9-11-7-12-3-4-13(8-11)18-12/h11-14,18H,2-10H2,1H3,(H,17,22)(H,19,21)
InChIKeyBRRDLSHSFWWQEW-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.83
Rot. Bonds4

About 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide

3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 119820661) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
PubChem CID119820661
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)CC2CC3CCC(C2)N3)C1
InChIInChI=1S/C16H28N4O2/c1-2-17-16(22)20-6-5-14(10-20)19-15(21)9-11-7-12-3-4-13(8-11)18-12/h11-14,18H,2-10H2,1H3,(H,17,22)(H,19,21)
InChIKeyBRRDLSHSFWWQEW-UHFFFAOYSA-N
XLogP0.83
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide (CID 119820661) is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)CC2CC3CCC(C2)N3)C1.
What is the InChIKey of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is BRRDLSHSFWWQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-2-17-16(22)20-6-5-14(10-20)19-15(21)9-11-7-12-3-4-13(8-11)18-12/h11-14,18H,2-10H2,1H3,(H,17,22)(H,19,21).
What are the key properties of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide?
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 119820661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).