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

C17H20N2O4 — CID 6490919

IUPACN-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1C
InChIInChI=1S/C17H20N2O4/c1-12-5-6-14(10-13(12)2)23-11-16(20)18-7-8-19-17(21)15-4-3-9-22-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVUNWSZPRTFPUTC-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.82
Rot. Bonds7

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

N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide (PubChem CID 6490919) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide
PubChem CID6490919
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1C
InChIInChI=1S/C17H20N2O4/c1-12-5-6-14(10-13(12)2)23-11-16(20)18-7-8-19-17(21)15-4-3-9-22-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVUNWSZPRTFPUTC-UHFFFAOYSA-N
XLogP1.82
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.82
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-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide (CID 6490919) is N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide is Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is VUNWSZPRTFPUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-5-6-14(10-13(12)2)23-11-16(20)18-7-8-19-17(21)15-4-3-9-22-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 6490919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).