N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide

C15H17NO4 — CID 168528633

IUPACN-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NC(C)=O)cc1-c1ccco1
InChIInChI=1S/C15H17NO4/c1-11(17)16-12-5-6-15(20-9-8-18-2)13(10-12)14-4-3-7-19-14/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyKXVMHUXTUKDINZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.93
Rot. Bonds6

About N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide

N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 168528633) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide
PubChem CID168528633
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NC(C)=O)cc1-c1ccco1
InChIInChI=1S/C15H17NO4/c1-11(17)16-12-5-6-15(20-9-8-18-2)13(10-12)14-4-3-7-19-14/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyKXVMHUXTUKDINZ-UHFFFAOYSA-N
XLogP2.93
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.93
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-yl)-4-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide (CID 168528633) is N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide is COCCOc1ccc(NC(C)=O)cc1-c1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is KXVMHUXTUKDINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-11(17)16-12-5-6-15(20-9-8-18-2)13(10-12)14-4-3-7-19-14/h3-7,10H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide?
N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 275.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 168528633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).