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

C19H35N5O3 — CID 134070079

IUPAC2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)NCC(C)C)CCN(C(=O)NC(C)C)C2
InChIInChI=1S/C19H35N5O3/c1-6-22-11-19(9-16(22)25)12-23(17(26)20-10-14(2)3)7-8-24(13-19)18(27)21-15(4)5/h14-15H,6-13H2,1-5H3,(H,20,26)(H,21,27)
InChIKeyKRRBLSCRMJNAPF-UHFFFAOYSA-N
MW381.52 g/mol
LogP1.33
Rot. Bonds4

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

2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide (PubChem CID 134070079) has the molecular formula C19H35N5O3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide.

Molecular Properties

Compound Name2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
PubChem CID134070079
Molecular FormulaC19H35N5O3
Molecular Weight381.52 g/mol
Exact Mass381.27
IUPAC Name2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)NCC(C)C)CCN(C(=O)NC(C)C)C2
InChIInChI=1S/C19H35N5O3/c1-6-22-11-19(9-16(22)25)12-23(17(26)20-10-14(2)3)7-8-24(13-19)18(27)21-15(4)5/h14-15H,6-13H2,1-5H3,(H,20,26)(H,21,27)
InChIKeyKRRBLSCRMJNAPF-UHFFFAOYSA-N
XLogP1.33
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 51.33
H-Bond Donors ≤ 52
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-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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The IUPAC name of 2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide (CID 134070079) is 2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide.
What is the SMILES notation for 2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The canonical SMILES for 2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide is CCN1CC2(CC1=O)CN(C(=O)NCC(C)C)CCN(C(=O)NC(C)C)C2.
What is the InChIKey of 2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The InChIKey is KRRBLSCRMJNAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3/c1-6-22-11-19(9-16(22)25)12-23(17(26)20-10-14(2)3)7-8-24(13-19)18(27)21-15(4)5/h14-15H,6-13H2,1-5H3,(H,20,26)(H,21,27).
What are the key properties of 2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide has a molecular weight of 381.52 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10-N-(2-methylpropyl)-3-oxo-7-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide is sourced from PubChem (CID 134070079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).