2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide

C18H33N5O3 — CID 97439083

IUPAC2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)NC(C)C)CCN(C(=O)NC(C)C)C2
InChIInChI=1S/C18H33N5O3/c1-6-21-10-18(9-15(21)24)11-22(16(25)19-13(2)3)7-8-23(12-18)17(26)20-14(4)5/h13-14H,6-12H2,1-5H3,(H,19,25)(H,20,26)
InChIKeyDWUGVACUBVOJJX-UHFFFAOYSA-N
MW367.49 g/mol
LogP1.08
Rot. Bonds3

About 2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide

2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide (PubChem CID 97439083) has the molecular formula C18H33N5O3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide.

Molecular Properties

Compound Name2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
PubChem CID97439083
Molecular FormulaC18H33N5O3
Molecular Weight367.49 g/mol
Exact Mass367.26
IUPAC Name2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)NC(C)C)CCN(C(=O)NC(C)C)C2
InChIInChI=1S/C18H33N5O3/c1-6-21-10-18(9-15(21)24)11-22(16(25)19-13(2)3)7-8-23(12-18)17(26)20-14(4)5/h13-14H,6-12H2,1-5H3,(H,19,25)(H,20,26)
InChIKeyDWUGVACUBVOJJX-UHFFFAOYSA-N
XLogP1.08
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-acetyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 118739549
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
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
10-acetyl-2-ethyl-N-methyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 118740729
2-ethyl-10-(2-methylpropanoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 118740730

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The IUPAC name of 2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide (CID 97439083) is 2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide.
What is the SMILES notation for 2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The canonical SMILES for 2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide is CCN1CC2(CC1=O)CN(C(=O)NC(C)C)CCN(C(=O)NC(C)C)C2.
What is the InChIKey of 2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The InChIKey is DWUGVACUBVOJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O3/c1-6-21-10-18(9-15(21)24)11-22(16(25)19-13(2)3)7-8-23(12-18)17(26)20-14(4)5/h13-14H,6-12H2,1-5H3,(H,19,25)(H,20,26).
What are the key properties of 2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide has a molecular weight of 367.49 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-7-N,10-N-di(propan-2-yl)-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide is sourced from PubChem (CID 97439083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).