N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide

C17H28N2O4 — CID 4205274

IUPACN-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCCCN(CCC(=O)NCCOC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C17H28N2O4/c1-5-6-9-19(10-7-16(20)18-8-11-22-4)17(21)15-12-13(2)23-14(15)3/h12H,5-11H2,1-4H3,(H,18,20)
InChIKeyBXYZUMFLGUUYDU-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.29
Rot. Bonds10

About N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide

N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 4205274) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID4205274
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCCCN(CCC(=O)NCCOC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C17H28N2O4/c1-5-6-9-19(10-7-16(20)18-8-11-22-4)17(21)15-12-13(2)23-14(15)3/h12H,5-11H2,1-4H3,(H,18,20)
InChIKeyBXYZUMFLGUUYDU-UHFFFAOYSA-N
XLogP2.29
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-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 N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide (CID 4205274) is N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide is CCCCN(CCC(=O)NCCOC)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is BXYZUMFLGUUYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-5-6-9-19(10-7-16(20)18-8-11-22-4)17(21)15-12-13(2)23-14(15)3/h12H,5-11H2,1-4H3,(H,18,20).
What are the key properties of N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide?
N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 4205274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).