N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

C20H28N4O3 — CID 155899752

IUPACN-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)CC1NC(=O)C2(CCN(C(=O)NCc3ccccc3)CC2)NC1=O
InChIInChI=1S/C20H28N4O3/c1-14(2)12-16-17(25)23-20(18(26)22-16)8-10-24(11-9-20)19(27)21-13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,21,27)(H,22,26)(H,23,25)
InChIKeyOSHMDMHHBNTYTC-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.39
Rot. Bonds4

About N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 155899752) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID155899752
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)CC1NC(=O)C2(CCN(C(=O)NCc3ccccc3)CC2)NC1=O
InChIInChI=1S/C20H28N4O3/c1-14(2)12-16-17(25)23-20(18(26)22-16)8-10-24(11-9-20)19(27)21-13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,21,27)(H,22,26)(H,23,25)
InChIKeyOSHMDMHHBNTYTC-UHFFFAOYSA-N
XLogP1.39
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 155899752) is N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is CC(C)CC1NC(=O)C2(CCN(C(=O)NCc3ccccc3)CC2)NC1=O.
What is the InChIKey of N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is OSHMDMHHBNTYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(2)12-16-17(25)23-20(18(26)22-16)8-10-24(11-9-20)19(27)21-13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,21,27)(H,22,26)(H,23,25).
What are the key properties of N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-methylpropyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 155899752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).