2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide

C14H22N4O3 — CID 73134644

IUPAC2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide
SMILESCC(C)NC(=O)N1CCN2C(=O)C3CCCN3C(=O)C2C1
InChIInChI=1S/C14H22N4O3/c1-9(2)15-14(21)16-6-7-18-11(8-16)13(20)17-5-3-4-10(17)12(18)19/h9-11H,3-8H2,1-2H3,(H,15,21)
InChIKeyXBGKNNVQRNJOCH-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.38
Rot. Bonds1

About 2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide

2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide (PubChem CID 73134644) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide.

Molecular Properties

Compound Name2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide
PubChem CID73134644
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide
SMILESCC(C)NC(=O)N1CCN2C(=O)C3CCCN3C(=O)C2C1
InChIInChI=1S/C14H22N4O3/c1-9(2)15-14(21)16-6-7-18-11(8-16)13(20)17-5-3-4-10(17)12(18)19/h9-11H,3-8H2,1-2H3,(H,15,21)
InChIKeyXBGKNNVQRNJOCH-UHFFFAOYSA-N
XLogP-0.38
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8aR)-1,3-dioxo-N,2-di(propan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 7161700
2,8-dioxo-N-propan-2-yl-4-prop-2-enoxy-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide
CID 162936304
(3S,9R)-11-benzoyl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 56856747
(7R,9aS)-7-benzyl-6,9-dioxo-N-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 7156119
(3R,9R)-11-(3-methylbenzoyl)-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 126462087
(8aS)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 131632861
(7S,9aS)-7-[(4-methoxyphenyl)methyl]-6,9-dioxo-N-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 7156136
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
(3aR,6aS)-5-oxo-N-propan-2-yl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 59614286
3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 83697103
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
3-isocyano-N-propan-2-ylpiperidine-1-carboxamide
CID 140701230

Frequently Asked Questions

What is the IUPAC name of 2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide?
The IUPAC name of 2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide (CID 73134644) is 2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide.
What is the SMILES notation for 2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide?
The canonical SMILES for 2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide is CC(C)NC(=O)N1CCN2C(=O)C3CCCN3C(=O)C2C1.
What is the InChIKey of 2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide?
The InChIKey is XBGKNNVQRNJOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)15-14(21)16-6-7-18-11(8-16)13(20)17-5-3-4-10(17)12(18)19/h9-11H,3-8H2,1-2H3,(H,15,21).
What are the key properties of 2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide?
2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide has a molecular weight of 294.35 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dioxo-N-propan-2-yl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide is sourced from PubChem (CID 73134644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).