N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide

C17H21N3O3 — CID 24771899

IUPACN,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide
SMILESCN(C)C(=O)CCC(=O)N1CCc2cccc3c2C1CNC3=O
InChIInChI=1S/C17H21N3O3/c1-19(2)14(21)6-7-15(22)20-9-8-11-4-3-5-12-16(11)13(20)10-18-17(12)23/h3-5,13H,6-10H2,1-2H3,(H,18,23)
InChIKeyHRFMEINHGNOYPO-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.72
Rot. Bonds3

About N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide

N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide (PubChem CID 24771899) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide
PubChem CID24771899
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide
SMILESCN(C)C(=O)CCC(=O)N1CCc2cccc3c2C1CNC3=O
InChIInChI=1S/C17H21N3O3/c1-19(2)14(21)6-7-15(22)20-9-8-11-4-3-5-12-16(11)13(20)10-18-17(12)23/h3-5,13H,6-10H2,1-2H3,(H,18,23)
InChIKeyHRFMEINHGNOYPO-UHFFFAOYSA-N
XLogP0.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide?
The IUPAC name of N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide (CID 24771899) is N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide.
What is the SMILES notation for N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide?
The canonical SMILES for N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide is CN(C)C(=O)CCC(=O)N1CCc2cccc3c2C1CNC3=O.
What is the InChIKey of N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide?
The InChIKey is HRFMEINHGNOYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19(2)14(21)6-7-15(22)20-9-8-11-4-3-5-12-16(11)13(20)10-18-17(12)23/h3-5,13H,6-10H2,1-2H3,(H,18,23).
What are the key properties of N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide?
N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide has a molecular weight of 315.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxo-4-(10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-yl)butanamide is sourced from PubChem (CID 24771899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).