N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

C16H26N2O3 — CID 4731048

IUPACN-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCCCCNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O
InChIInChI=1S/C16H26N2O3/c1-5-6-7-17-11(19)14(2)8-15(3)10-16(4,9-14)13(21)18-12(15)20/h5-10H2,1-4H3,(H,17,19)(H,18,20,21)
InChIKeySXJVGQXNRCSWBI-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.76
Rot. Bonds4

About N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731048) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731048
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCCCCNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O
InChIInChI=1S/C16H26N2O3/c1-5-6-7-17-11(19)14(2)8-15(3)10-16(4,9-14)13(21)18-12(15)20/h5-10H2,1-4H3,(H,17,19)(H,18,20,21)
InChIKeySXJVGQXNRCSWBI-UHFFFAOYSA-N
XLogP1.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731048) is N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is CCCCNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O.
What is the InChIKey of N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is SXJVGQXNRCSWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-6-7-17-11(19)14(2)8-15(3)10-16(4,9-14)13(21)18-12(15)20/h5-10H2,1-4H3,(H,17,19)(H,18,20,21).
What are the key properties of N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).