N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide

C15H14N2O3 — CID 23880421

IUPACN-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide
SMILESCCC(=O)Nc1oc(-c2ccc(OC)cc2)cc1C#N
InChIInChI=1S/C15H14N2O3/c1-3-14(18)17-15-11(9-16)8-13(20-15)10-4-6-12(19-2)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyPOBJQKZUDRZDKE-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.18
Rot. Bonds4

About N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide

N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide (PubChem CID 23880421) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide
PubChem CID23880421
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide
SMILESCCC(=O)Nc1oc(-c2ccc(OC)cc2)cc1C#N
InChIInChI=1S/C15H14N2O3/c1-3-14(18)17-15-11(9-16)8-13(20-15)10-4-6-12(19-2)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyPOBJQKZUDRZDKE-UHFFFAOYSA-N
XLogP3.18
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide?
The IUPAC name of N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide (CID 23880421) is N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide is CCC(=O)Nc1oc(-c2ccc(OC)cc2)cc1C#N.
What is the InChIKey of N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide?
The InChIKey is POBJQKZUDRZDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-3-14(18)17-15-11(9-16)8-13(20-15)10-4-6-12(19-2)7-5-10/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide?
N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide has a molecular weight of 270.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 23880421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).