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

C17H28N2O5 — CID 4194623

IUPACN-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCOCCCN(CCC(=O)NCCOC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C17H28N2O5/c1-13-12-15(14(2)24-13)17(21)19(8-5-10-22-3)9-6-16(20)18-7-11-23-4/h12H,5-11H2,1-4H3,(H,18,20)
InChIKeyMSWYVHGUINIYBI-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.53
Rot. Bonds11

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

N-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 4194623) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID4194623
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCOCCCN(CCC(=O)NCCOC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C17H28N2O5/c1-13-12-15(14(2)24-13)17(21)19(8-5-10-22-3)9-6-16(20)18-7-11-23-4/h12H,5-11H2,1-4H3,(H,18,20)
InChIKeyMSWYVHGUINIYBI-UHFFFAOYSA-N
XLogP1.53
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide (CID 4194623) is N-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide is COCCCN(CCC(=O)NCCOC)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is MSWYVHGUINIYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-13-12-15(14(2)24-13)17(21)19(8-5-10-22-3)9-6-16(20)18-7-11-23-4/h12H,5-11H2,1-4H3,(H,18,20).
What are the key properties of N-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide?
N-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 1.53, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 4194623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).