2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide

C17H30N4O4 — CID 175712430

IUPAC2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide
SMILESCC(C)CC1NC(=O)CCCC(=O)NCCCCC(C(N)=O)NC1=O
InChIInChI=1S/C17H30N4O4/c1-11(2)10-13-17(25)21-12(16(18)24)6-3-4-9-19-14(22)7-5-8-15(23)20-13/h11-13H,3-10H2,1-2H3,(H2,18,24)(H,19,22)(H,20,23)(H,21,25)
InChIKeyRJQDFVNXKNYPET-UHFFFAOYSA-N
MW354.45 g/mol
LogP-0.04
Rot. Bonds3

About 2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide

2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide (PubChem CID 175712430) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide
PubChem CID175712430
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Name2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide
SMILESCC(C)CC1NC(=O)CCCC(=O)NCCCCC(C(N)=O)NC1=O
InChIInChI=1S/C17H30N4O4/c1-11(2)10-13-17(25)21-12(16(18)24)6-3-4-9-19-14(22)7-5-8-15(23)20-13/h11-13H,3-10H2,1-2H3,(H2,18,24)(H,19,22)(H,20,23)(H,21,25)
InChIKeyRJQDFVNXKNYPET-UHFFFAOYSA-N
XLogP-0.04
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide (CID 175712430) is 2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide is CC(C)CC1NC(=O)CCCC(=O)NCCCCC(C(N)=O)NC1=O.
What is the InChIKey of 2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide?
The InChIKey is RJQDFVNXKNYPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-11(2)10-13-17(25)21-12(16(18)24)6-3-4-9-19-14(22)7-5-8-15(23)20-13/h11-13H,3-10H2,1-2H3,(H2,18,24)(H,19,22)(H,20,23)(H,21,25).
What are the key properties of 2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide?
2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide has a molecular weight of 354.45 g/mol, XLogP of -0.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide is sourced from PubChem (CID 175712430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).