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

C15H26N4O3 — CID 118739549

IUPAC7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(=O)N1CCN(C(=O)NC(C)C)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C15H26N4O3/c1-11(2)16-14(22)19-6-5-18(12(3)20)9-15(10-19)7-13(21)17(4)8-15/h11H,5-10H2,1-4H3,(H,16,22)
InChIKeyWVPLSMAJXONFPK-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.12
Rot. Bonds1

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

7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 118739549) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID118739549
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(=O)N1CCN(C(=O)NC(C)C)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C15H26N4O3/c1-11(2)16-14(22)19-6-5-18(12(3)20)9-15(10-19)7-13(21)17(4)8-15/h11H,5-10H2,1-4H3,(H,16,22)
InChIKeyWVPLSMAJXONFPK-UHFFFAOYSA-N
XLogP0.12
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97439083
3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97522023
N,2-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739144
N,N,2-trimethyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739546
7-N,10-N,10-N,2-tetramethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 118739550
2-methyl-7-(3-methylbutanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739551
2-methyl-7-(2-methylpropanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739556
7-acetyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739586
10-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 118739592
N,N,2-trimethyl-7-(3-methylbutanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739780
10-N,10-N,2-trimethyl-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 118739783
2-ethyl-7-methylsulfonyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118740727

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of 7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 118739549) is 7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for 7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for 7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CC(=O)N1CCN(C(=O)NC(C)C)CC2(CC(=O)N(C)C2)C1.
What is the InChIKey of 7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is WVPLSMAJXONFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11(2)16-14(22)19-6-5-18(12(3)20)9-15(10-19)7-13(21)17(4)8-15/h11H,5-10H2,1-4H3,(H,16,22).
What are the key properties of 7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 118739549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).