N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide

C19H26N2O4 — CID 4568907

IUPACN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide
SMILESCCCCCCN(CCC(=O)NCc1ccco1)C(=O)c1ccoc1
InChIInChI=1S/C19H26N2O4/c1-2-3-4-5-10-21(19(23)16-9-13-24-15-16)11-8-18(22)20-14-17-7-6-12-25-17/h6-7,9,12-13,15H,2-5,8,10-11,14H2,1H3,(H,20,22)
InChIKeyIIOXTUSBQQCOHY-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.60
Rot. Bonds11

About N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide

N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide (PubChem CID 4568907) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide
PubChem CID4568907
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide
SMILESCCCCCCN(CCC(=O)NCc1ccco1)C(=O)c1ccoc1
InChIInChI=1S/C19H26N2O4/c1-2-3-4-5-10-21(19(23)16-9-13-24-15-16)11-8-18(22)20-14-17-7-6-12-25-17/h6-7,9,12-13,15H,2-5,8,10-11,14H2,1H3,(H,20,22)
InChIKeyIIOXTUSBQQCOHY-UHFFFAOYSA-N
XLogP3.60
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide (CID 4568907) is N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide is CCCCCCN(CCC(=O)NCc1ccco1)C(=O)c1ccoc1.
What is the InChIKey of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide?
The InChIKey is IIOXTUSBQQCOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-2-3-4-5-10-21(19(23)16-9-13-24-15-16)11-8-18(22)20-14-17-7-6-12-25-17/h6-7,9,12-13,15H,2-5,8,10-11,14H2,1H3,(H,20,22).
What are the key properties of N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide?
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-hexylfuran-3-carboxamide is sourced from PubChem (CID 4568907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).