N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

C15H17NO4 — CID 703899

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C15H17NO4/c1-18-12-6-5-11(10-14(12)19-2)7-8-16-15(17)13-4-3-9-20-13/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeySLEFGLHZXCZLOR-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.27
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 703899) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID703899
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C15H17NO4/c1-18-12-6-5-11(10-14(12)19-2)7-8-16-15(17)13-4-3-9-20-13/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeySLEFGLHZXCZLOR-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide (CID 703899) is N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide is COc1ccc(CCNC(=O)c2ccco2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is SLEFGLHZXCZLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-12-6-5-11(10-14(12)19-2)7-8-16-15(17)13-4-3-9-20-13/h3-6,9-10H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 703899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).