N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide

C14H15NO3 — CID 861821

IUPACN-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccco2)cc1
InChIInChI=1S/C14H15NO3/c1-2-17-12-7-5-11(6-8-12)10-15-14(16)13-4-3-9-18-13/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeyRZKISNPBMUIXSM-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.61
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide

N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 861821) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID861821
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccco2)cc1
InChIInChI=1S/C14H15NO3/c1-2-17-12-7-5-11(6-8-12)10-15-14(16)13-4-3-9-18-13/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeyRZKISNPBMUIXSM-UHFFFAOYSA-N
XLogP2.61
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide (CID 861821) is N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide is CCOc1ccc(CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is RZKISNPBMUIXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-17-12-7-5-11(6-8-12)10-15-14(16)13-4-3-9-18-13/h3-9H,2,10H2,1H3,(H,15,16).
What are the key properties of N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 861821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).