N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide

C14H22N2O4 — CID 3601429

IUPACN-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide
SMILESCCN(CCC(=O)NCCCOC)C(=O)c1ccoc1
InChIInChI=1S/C14H22N2O4/c1-3-16(14(18)12-6-10-20-11-12)8-5-13(17)15-7-4-9-19-2/h6,10-11H,3-5,7-9H2,1-2H3,(H,15,17)
InChIKeyKZFOFTWQFWPHBW-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.28
Rot. Bonds9

About N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide

N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide (PubChem CID 3601429) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide
PubChem CID3601429
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide
SMILESCCN(CCC(=O)NCCCOC)C(=O)c1ccoc1
InChIInChI=1S/C14H22N2O4/c1-3-16(14(18)12-6-10-20-11-12)8-5-13(17)15-7-4-9-19-2/h6,10-11H,3-5,7-9H2,1-2H3,(H,15,17)
InChIKeyKZFOFTWQFWPHBW-UHFFFAOYSA-N
XLogP1.28
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.28
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-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide (CID 3601429) is N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide is CCN(CCC(=O)NCCCOC)C(=O)c1ccoc1.
What is the InChIKey of N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is KZFOFTWQFWPHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-16(14(18)12-6-10-20-11-12)8-5-13(17)15-7-4-9-19-2/h6,10-11H,3-5,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide?
N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 3601429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).