N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide

C18H22N2O4 — CID 6490916

IUPACN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2ccco2)cc1C
InChIInChI=1S/C18H22N2O4/c1-13-6-7-15(11-14(13)2)24-12-17(21)19-8-4-9-20-18(22)16-5-3-10-23-16/h3,5-7,10-11H,4,8-9,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVWVUEVKBJFDYDT-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.21
Rot. Bonds8

About N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide

N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide (PubChem CID 6490916) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide
PubChem CID6490916
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2ccco2)cc1C
InChIInChI=1S/C18H22N2O4/c1-13-6-7-15(11-14(13)2)24-12-17(21)19-8-4-9-20-18(22)16-5-3-10-23-16/h3,5-7,10-11H,4,8-9,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVWVUEVKBJFDYDT-UHFFFAOYSA-N
XLogP2.21
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
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-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide (CID 6490916) is N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide is Cc1ccc(OCC(=O)NCCCNC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide?
The InChIKey is VWVUEVKBJFDYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-6-7-15(11-14(13)2)24-12-17(21)19-8-4-9-20-18(22)16-5-3-10-23-16/h3,5-7,10-11H,4,8-9,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide?
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]furan-2-carboxamide is sourced from PubChem (CID 6490916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).