N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide

C17H21NO4 — CID 2305621

IUPACN-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide
SMILESCCCCOc1ccc(OCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H21NO4/c1-2-3-11-20-14-6-8-15(9-7-14)21-13-10-18-17(19)16-5-4-12-22-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,18,19)
InChIKeyCMVDGSZPGBAJKX-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.27
Rot. Bonds9

About N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide

N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide (PubChem CID 2305621) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide
PubChem CID2305621
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide
SMILESCCCCOc1ccc(OCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H21NO4/c1-2-3-11-20-14-6-8-15(9-7-14)21-13-10-18-17(19)16-5-4-12-22-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,18,19)
InChIKeyCMVDGSZPGBAJKX-UHFFFAOYSA-N
XLogP3.27
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.27
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-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide (CID 2305621) is N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide is CCCCOc1ccc(OCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide?
The InChIKey is CMVDGSZPGBAJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-2-3-11-20-14-6-8-15(9-7-14)21-13-10-18-17(19)16-5-4-12-22-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide?
N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2305621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).