10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

C16H28N4O3 — CID 118740732

IUPAC10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(C(C)=O)CCN(C(=O)NC(C)C)C2
InChIInChI=1S/C16H28N4O3/c1-5-18-9-16(8-14(18)22)10-19(13(4)21)6-7-20(11-16)15(23)17-12(2)3/h12H,5-11H2,1-4H3,(H,17,23)
InChIKeyQCWGPDZJMAEGOY-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.51
Rot. Bonds2

About 10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 118740732) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID118740732
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(C(C)=O)CCN(C(=O)NC(C)C)C2
InChIInChI=1S/C16H28N4O3/c1-5-18-9-16(8-14(18)22)10-19(13(4)21)6-7-20(11-16)15(23)17-12(2)3/h12H,5-11H2,1-4H3,(H,17,23)
InChIKeyQCWGPDZJMAEGOY-UHFFFAOYSA-N
XLogP0.51
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of 10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 118740732) is 10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for 10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for 10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is CCN1CC2(CC1=O)CN(C(C)=O)CCN(C(=O)NC(C)C)C2.
What is the InChIKey of 10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is QCWGPDZJMAEGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-5-18-9-16(8-14(18)22)10-19(13(4)21)6-7-20(11-16)15(23)17-12(2)3/h12H,5-11H2,1-4H3,(H,17,23).
What are the key properties of 10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyl-2-ethyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 118740732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).